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(-)-(1S,2S,3R)-methyl 2-allyl-3-cyano-2-methylcyclopentanecarboxylate
SpectraBase Compound ID GGnjnRC5Fvd
InChI InChI=1S/C12H17NO2/c1-4-7-12(2)9(8-13)5-6-10(12)11(14)15-3/h4,9-10H,1,5-7H2,2-3H3/t9-,10+,12-/m0/s1
InChIKey BIMFXTVBFCKGRY-UMNHJUIQSA-N
Mol Weight 207.27 g/mol
Molecular Formula C12H17NO2
Exact Mass 207.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbMSOgOBW9L
Name (-)-(1S,2S,3R)-methyl 2-allyl-3-cyano-2-methylcyclopentanecarboxylate
Alternate Name(s) Methyl (1S,2S,3R)-2-allyl-3-cyano-2-methylcyclopentane-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO2
InChI InChI=1S/C12H17NO2/c1-4-7-12(2)9(8-13)5-6-10(12)11(14)15-3/h4,9-10H,1,5-7H2,2-3H3/t9-,10+,12-/m0/s1
InChIKey BIMFXTVBFCKGRY-UMNHJUIQSA-N
Literature Reference DOI 10.1002/asia.201402913
Molecular Weight 207.273 g/mol
SMILES [C@@]1(CC=C)(C)[C@@](C(OC)=O)(CC[C@]1(C#N)[H])[H]
SPLASH splash10-0adi-2900000000-a3c2cb5aeaf76815c1dd
Source of Spectrum CAJ-10-945-(_)_28
Wiley ID 1787147