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3-Hexenoic acid, 4-ethyl-2-methyl-, ethyl ester, (S)-
SpectraBase Compound ID 98yt0BZmSFk
InChI InChI=1S/C11H20O2/c1-5-10(6-2)8-9(4)11(12)13-7-3/h8-9H,5-7H2,1-4H3/t9-/m0/s1
InChIKey JDKPNGSCDVKFKY-VIFPVBQESA-N
Mol Weight 184.28 g/mol
Molecular Formula C11H20O2
Exact Mass 184.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID aHt3wrweig
Name 3-Hexenoic acid, 4-ethyl-2-methyl-, ethyl ester, (S)-
CAS Registry Number 125427-65-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O2
InChI InChI=1S/C11H20O2/c1-5-10(6-2)8-9(4)11(12)13-7-3/h8-9H,5-7H2,1-4H3/t9-/m0/s1
InChIKey JDKPNGSCDVKFKY-VIFPVBQESA-N
Molecular Weight 184.279 g/mol
SMILES C([C@@](C(=O)OCC)(C)[H])=C(CC)CC
SPLASH splash10-0pw9-9700000000-a8271e7ac4f5e858b33b
Source of Spectrum F-45-6191-24
Synonyms Ethyl (2S)-4-ethyl-2-methyl-3-hexenoate Ethyl 4-ethyl-2-methyl-3-hexenoate
Wiley ID 1181000