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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 8vtY75UW6tI
Name 2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester, (E)-
CAS Registry Number 32659-21-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O2
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
SMILES C(\C=C\(CCC=C(C)C)C)(=O)OCC
SPLASH splash10-01p2-5900000000-2b52cecbaad0acbb5da3
Source of Spectrum X4-27-495-0
Synonyms Ethyl 3,7-dimethylocta-2,6-dienoate (2E)-3,7-dimethylocta-2,6-dienoic acid ethyl ester Ethyl nerate (E)-3,7-Dimethyl-2,6-octadienoic acid, ethyl ester Ethyl (2E)-3,7-dimethyl-2,6-octadienoate Ethyl (2E)-3,7-dimethylocta-2,6-dienoate Ethyl geranate
Wiley ID 1586371