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1-Phenylpropyl butyrate

Properties

Image

Occurences in reactions

MNX_ID

MNXM116045

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₃H₁₈O₂

charge

mass

206.13068

reference

InChIKey

SNUDRKNHOSAKGS-UHFFFAOYSA-N

InChI

InChI=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

SMILES

CCCC(=O)OC(CC)c1ccccc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0036386	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