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2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester, (E)-
SpectraBase Compound ID 7vPWN5C749P
InChI InChI=1S/C12H20O2/c1-5-14-12(13)9-11(4)8-6-7-10(2)3/h7,9H,5-6,8H2,1-4H3/b11-9+
InChIKey ZPKNTCZTABQJPS-PKNBQFBNSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vSHnyDA2VA
Name Ethyl geranate
CAS Registry Number 32659-21-5
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 196.146329882 u
Formula C12H20O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
InChI InChI=1S/C12H20O2/c1-5-14-12(13)9-11(4)8-6-7-10(2)3/h7,9H,5-6,8H2,1-4H3/b11-9+
InChIKey ZPKNTCZTABQJPS-PKNBQFBNSA-N
Molecular Weight 196.290 g/mol
Nominal Mass 196 u
Number of Peaks 128
SMILES CC(C)=CCC\C(C)=C\C(=O)OCC
SPLASH splash10-014l-9300000000-e00d2a9d60f6857b432c
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001602