Search MNXref
 Feedback

Linalyl phenylacetate

PropertiesImage
MNX_IDMNXM127360 Image of MNXM127360
referencechebi:173939
formulaC18H24O2
global charge0
mol weight272.388
InChIKeyRROUXOOIXJRTOM-UHFFFAOYSA-N
InChIInChI=1S/C18H24O2/c1-5-18(4,13-9-10-15(2)3)20-17(19)14-16-11-7-6-8-12-16/h5-8,10-12H,1,9,13-14H2,2-4H3
SMILESC=CC(C)(CCC=C(C)C)OC(=O)CC1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C18H24O2/c1-5-18(4,13-9-10-15(2)3)20-17(19)14-16-11-7-6-8-12-16/h5-8,10-12H,1,9,13-14H2,2-4H3/t18? Image of MNXM127360
SMILES (mnx)[CH2:1]=[CH:5][C:18]([CH3:4])([CH2:13][CH2:9][CH:10]=[C:15]([CH3:2])[CH3:3])[O:20][C:17]([CH2:14][C:16]1=[CH:11][CH:7]=[CH:6][CH:8]=[CH:12]1)=[O:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:173939
chebi:173939
RROUXOOIXJRTOM-UHFFFAOYSA-N 		Linalyl phenylacetate
3,7-dimethylocta-1,6-dien-3-yl 2-phenylacetate
hmdb:HMDB0037216
RROUXOOIXJRTOM-UHFFFAOYSA-N 		Linalyl phenylacetate
1,5-Dimethyl-1-vinyl-4-hexenyl phenylacetate
1-Ethenyl-1,5-dimethyl-4-hexenyl benzeneacetate
3,7-Dimethyl-1,6-octadien-3-yl phenylacetate
3,7-Dimethylocta-1,6-dien-3-yl 2-phenylacetic acid
3,7-dimethylocta-1,6-dien-3-yl 2-phenylacetate
Acetic acid, phenyl-, 1,5-dimethyl-1-vinyl-4-hexenyl ester
Benzeneacetic acid, 1,5-dimethyl-1-ethenyl-4-hexenyl ester
Benzeneacetic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
FEMA 3501
Linalyl alpha-toluate
Linalyl phenylacetic acid

hmdb:HMDB37216 		secondary/obsolete/fantasy identifier