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2-Heptenoic acid, 5-hydroxy-2,6-dimethyl-, methyl ester, (E)-
SpectraBase Compound ID BKxSAVE0E2b
InChI InChI=1S/C10H18O3/c1-7(2)9(11)6-5-8(3)10(12)13-4/h5,7,9,11H,6H2,1-4H3/b8-5+
InChIKey CJTSSSRQOLOHQP-VMPITWQZSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjpP0YBZtQz
Name 2-Heptenoic acid, 5-hydroxy-2,6-dimethyl-, methyl ester, (E)-
Alternate Name(s) Methyl (2E)-5-hydroxy-2,6-dimethyl-2-heptenoate Methyl 2,6-dimethyl-5-hydroxy-2-heptenoate Methyl 5-hydroxy-2,6-dimethyl-2-heptenoate
CAS Registry Number 92186-80-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-7(2)9(11)6-5-8(3)10(12)13-4/h5,7,9,11H,6H2,1-4H3/b8-5+
InChIKey CJTSSSRQOLOHQP-VMPITWQZSA-N
Molecular Weight 186.251 g/mol
SMILES OC(C\C=C\(C(=O)OC)C)C(C)C
SPLASH splash10-03di-2900000000-b3973c5ec0e8889a1750
Source of Spectrum AJ-59-2478-10
Wiley ID 1182744