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(2R)-2-cyano-2-[(1R,2R,5R)-2-isopropenyl-5-methyl-cyclohexyl]acetic acid methyl ester
SpectraBase Compound ID D5s9OhJuMrT
InChI InChI=1S/C14H21NO2/c1-9(2)11-6-5-10(3)7-12(11)13(8-15)14(16)17-4/h10-13H,1,5-7H2,2-4H3/t10-,11+,12-,13+/m1/s1
InChIKey PXVTXRKPTBRFJV-XQHKEYJVSA-N
Mol Weight 235.33 g/mol
Molecular Formula C14H21NO2
Exact Mass 235.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERRppCtbO8l
Name (2R)-2-cyano-2-[(1R,2R,5R)-2-isopropenyl-5-methyl-cyclohexyl]acetic acid methyl ester
CAS Registry Number 106431-91-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO2
InChI InChI=1S/C14H21NO2/c1-9(2)11-6-5-10(3)7-12(11)13(8-15)14(16)17-4/h10-13H,1,5-7H2,2-4H3/t10-,11+,12-,13+/m1/s1
InChIKey PXVTXRKPTBRFJV-XQHKEYJVSA-N
Molecular Weight 235.327 g/mol
SMILES [C@@]([C@]1([C@](C(=C)C)(CC[C@](C1)(C)[H])[H])[H])(C(=O)OC)(C#N)[H]
SPLASH splash10-002r-0920000000-2805d8bdaa0e81bdf43b
Source of Spectrum J-54-3128-0
Synonyms (2R)-2-cyano-2-[(1R,2R,5R)-5-methyl-2-(1-methylethenyl)cyclohexyl]acetic acid methyl ester Methyl (2R)-2-cyano-2-[(1R,2R,5R)-2-isopropenyl-5-methyl-cyclohexyl]acetate Methyl (2R)-2-cyano-2-[(1R,2R,5R)-5-methyl-2-prop-1-en-2-yl-cyclohexyl]ethanoate Methyl (2R)-2-cyano-2-[(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]acetate
Wiley ID 1237221