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1-Phenylpropyl butyrate

PropertiesImage
MNX_IDMNXM116045 Image of MNXM116045
referencehmdb:HMDB0036386
formulaC13H18O2
global charge0
mol weight206.285
InChIKeySNUDRKNHOSAKGS-UHFFFAOYSA-N
InChIInChI=1S/C13H18O2/c1-3-8-13(14)15-12(4-2)11-9-6-5-7-10-11/h5-7,9-10,12H,3-4,8H2,1-2H3
SMILESCCCC(=O)OC(CC)C1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C13H18O2/c1-3-8-13(14)15-12(4-2)11-9-6-5-7-10-11/h5-7,9-10,12H,3-4,8H2,1-2H3/t12? Image of MNXM116045
SMILES (mnx)[CH3:1][CH2:3][CH2:8][C:13](=[O:14])[O:15][CH:12]([CH2:4][CH3:2])[C:11]1=[CH:9][CH:6]=[CH:5][CH:7]=[CH:10]1
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
hmdb:HMDB0036386
SNUDRKNHOSAKGS-UHFFFAOYSA-N 		1-Phenylpropyl butyrate
1-Phenyl-1-propyl butyrate
1-Phenylpropyl butanoate
1-Phenylpropyl butanoic acid
1-Phenylpropyl butyric acid
1-phenylpropyl butanoate
Butanoic acid, 1-phenylpropyl ester
Butyric acid, alpha-ethylbenzyl ester
Ethyl phenyl carbinyl butyrate
FEMA 2424
a-Ethylbenzyl butyrate
alpha-Ethylbenzyl butyrate
alpha-Phenylpropyl butyrate

hmdb:HMDB36386 		secondary/obsolete/fantasy identifier