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5-Hexenoic acid, 2,4-dimethyl-, methyl ester, (R*,S*)-
SpectraBase Compound ID 8mN7toRlhGv
InChI InChI=1S/C9H16O2/c1-5-7(2)6-8(3)9(10)11-4/h5,7-8H,1,6H2,2-4H3/t7-,8-/m1/s1
InChIKey UPEWGNNMAKFOIB-HTQZYQBOSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H9V3t5Rvq5l
Name 5-Hexenoic acid, 2,4-dimethyl-, methyl ester, (R*,S*)-
Alternate Name(s) Methyl (2R*,4S*)-2,4-dimethyl-5-hexenoate Methyl (2R,4S)-2,4-dimethyl-5-hexenoate
CAS Registry Number 80865-18-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-5-7(2)6-8(3)9(10)11-4/h5,7-8H,1,6H2,2-4H3/t7-,8-/m1/s1
InChIKey UPEWGNNMAKFOIB-HTQZYQBOSA-N
Molecular Weight 156.225 g/mol
SMILES C([C@@](C[C@@](C=C)(C)[H])(C)[H])(=O)OC
SPLASH splash10-052r-9100000000-4a0436a234447f49aa9d
Source of Spectrum I-66-1363-13
Wiley ID 1153816