For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl (3E)-3-(3-oxopropyl)-3-nonenoate
SpectraBase Compound ID GQFEhUPVKLE
InChI InChI=1S/C13H22O3/c1-3-4-5-6-8-12(9-7-10-14)11-13(15)16-2/h8,10H,3-7,9,11H2,1-2H3/b12-8+
InChIKey RYDASGSPPAFVOA-XYOKQWHBSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JvuvocXz1kS
Name Methyl (3E)-3-(3-oxopropyl)-3-nonenoate
Alternate Name(s) (E)-3-(3-ketopropyl)non-3-enoic acid methyl ester (E)-3-(3-oxopropyl)-3-nonenoic acid methyl ester Methyl (E)-3-(3-oxidanylidenepropyl)non-3-enoate Methyl (E)-3-(3-oxopropyl)non-3-enoate Methyl 3-(2-formylethyl)-3-nonenoate
CAS Registry Number 94608-90-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-3-4-5-6-8-12(9-7-10-14)11-13(15)16-2/h8,10H,3-7,9,11H2,1-2H3/b12-8+
InChIKey RYDASGSPPAFVOA-XYOKQWHBSA-N
Molecular Weight 226.316 g/mol
SMILES CCCCC\C=C/(CCC=O)CC(=O)OC
SPLASH splash10-0aw9-9700000000-d8a434fe33e18e2a6a41
Source of Spectrum W5-1989-37931-27605
Wiley ID 1227566