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Benzyl hexanoate

PropertiesImage
MNX_IDMNXM119679 Image of MNXM119679
referencehmdb:HMDB0032176
formulaC13H18O2
global charge0
mol weight206.285
InChIKeyHRSXWUSONDBHSP-UHFFFAOYSA-N
InChIInChI=1S/C13H18O2/c1-2-3-5-10-13(14)15-11-12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3
SMILESCCCCCC(=O)OCC1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C13H18O2/c1-2-3-5-10-13(14)15-11-12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3 Image of MNXM119679
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:5][CH2:10][C:13](=[O:14])[O:15][CH2:11][C:12]1=[CH:8][CH:6]=[CH:4][CH:7]=[CH:9]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:HMDB0032176
HRSXWUSONDBHSP-UHFFFAOYSA-N
Benzyl hexanoate
Benzyl N-hexanoate
Benzyl caproate
Benzyl hexanoic acid
Hexanoic acid, phenylmethyl ester
benzyl hexanoate

hmdb:HMDB32176
secondary/obsolete/fantasy identifier