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2-Octenoic acid, 3,7-dimethyl-8-oxo-, methyl ester, [R-(E)]-
SpectraBase Compound ID 64XQCxZOkTS
InChI InChI=1S/C11H18O3/c1-9(7-11(13)14-3)5-4-6-10(2)8-12/h7-8,10H,4-6H2,1-3H3/b9-7+/t10-/m1/s1
InChIKey JCZTZMDSLHLPHI-TTZKWOQHSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6D6wGHHr4oF
Name 2-Octenoic acid, 3,7-dimethyl-8-oxo-, methyl ester, [R-(E)]-
Alternate Name(s) Methyl (-)-(R,E)-3,7-dimethyloct-8-oxooct-2-enoate Methyl (2E,7R)-3,7-dimethyl-8-oxo-2-octenoate
CAS Registry Number 130486-82-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-9(7-11(13)14-3)5-4-6-10(2)8-12/h7-8,10H,4-6H2,1-3H3/b9-7+/t10-/m1/s1
InChIKey JCZTZMDSLHLPHI-TTZKWOQHSA-N
Molecular Weight 198.262 g/mol
SMILES C(\C=C\(CCC[C@](C=O)(C)[H])C)(=O)OC
SPLASH splash10-05ne-9200000000-63922de229e9cba33fe2
Source of Spectrum H-73-738-0
Wiley ID 1195535