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trans-4-DECENOIC ACID, ETHYL ESTER
SpectraBase Compound ID CrZzCUuC5yZ
InChI InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8+
InChIKey AWNIQMQADACLCJ-CMDGGOBGSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gncvs1xMNAt
Name Ethyl-(4E)-decenoate
CAS Registry Number 76649-16-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8+
InChIKey AWNIQMQADACLCJ-CMDGGOBGSA-N
Molecular Weight 198.306 g/mol
SMILES CCCCC\C=C\CCC(OCC)=O
SPLASH splash10-05mo-9100000000-ace0d8d4fd1c3e700d58
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887356