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3-Nonenoic acid, 2-methyl-, ethyl ester, [S-(E)]-
SpectraBase Compound ID CcKvPxe3WsU
InChI InChI=1S/C12H22O2/c1-4-6-7-8-9-10-11(3)12(13)14-5-2/h9-11H,4-8H2,1-3H3/b10-9+/t11-/m0/s1
InChIKey PRJFJNCZTJZFOT-USKTWTLRSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20MVvCH5GTc
Name 3-Nonenoic acid, 2-methyl-, ethyl ester, [S-(E)]-
CAS Registry Number 125474-35-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-4-6-7-8-9-10-11(3)12(13)14-5-2/h9-11H,4-8H2,1-3H3/b10-9+/t11-/m0/s1
InChIKey PRJFJNCZTJZFOT-USKTWTLRSA-N
Molecular Weight 198.306 g/mol
SMILES C(=O)([C@](\C=C\CCCCC)(C)[H])OCC
SPLASH splash10-1000-9500000000-d3490cd8245f2da03788
Source of Spectrum F-45-6191-27
Synonyms Ethyl (2S,3E)-2-methyl-3-nonenoate Ethyl e-2-methyl-3-nonenoate
Wiley ID 1195882