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2,6-Octadienoic-5,5-D2 acid, 3,7-dimethyl-, ethyl ester, (E)-
SpectraBase Compound ID 6iC6CrzJ9S
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+/i6D2
InChIKey ZPKNTCZTABQJPS-MBQBAVGVSA-N
Mol Weight 198.3 g/mol
Molecular Formula C12H182D2O2
Exact Mass 198.158883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID txj17Xmmzm
Name 2,6-Octadienoic-5,5-D2 acid, 3,7-dimethyl-, ethyl ester, (E)-
CAS Registry Number 124787-23-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18D2O2
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+/i6D2
InChIKey ZPKNTCZTABQJPS-MBQBAVGVSA-N
Molecular Weight 198.302 g/mol
SMILES C(\C=C\(CC(C=C(C)C)([2D])[2D])C)(=O)OCC
SPLASH splash10-00di-9400000000-9351618d04fc44fbbe67
Source of Spectrum KC-1989-1814-11
Synonyms Ethyl 5,5-dideuteriogeranate
Wiley ID 1193762