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(S)-methyl 1-((1R,6S)-6-cyanocyclohex-2-enyl)-5-oxopyrrolidine-2-carboxylate
SpectraBase Compound ID GYNwqRGIGUP
InChI InChI=1S/C13H16N2O3/c1-18-13(17)11-6-7-12(16)15(11)10-5-3-2-4-9(10)8-14/h3,5,9-11H,2,4,6-7H2,1H3/t9-,10-,11+/m1/s1
InChIKey QKGRGFPNTWNHEB-MXWKQRLJSA-N
Mol Weight 248.28 g/mol
Molecular Formula C13H16N2O3
Exact Mass 248.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ks2somX5voB
Name (S)-methyl 1-((1R,6S)-6-cyanocyclohex-2-enyl)-5-oxopyrrolidine-2-carboxylate
Alternate Name(s) (S)-methyl 1-((1R,6S)-6-cyanocyclohex-2-en-1-yl)-5-oxopyrrolidine-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O3
InChI InChI=1S/C13H16N2O3/c1-18-13(17)11-6-7-12(16)15(11)10-5-3-2-4-9(10)8-14/h3,5,9-11H,2,4,6-7H2,1H3/t9-,10-,11+/m1/s1
InChIKey QKGRGFPNTWNHEB-MXWKQRLJSA-N
Literature Reference DOI 10.1002/asia.200700031
Molecular Weight 248.282 g/mol
SMILES C1=CCC[C@@]([C@@]1(N1C(CC[C@]1(C(OC)=O)[H])=O)[H])(C#N)[H]
SPLASH splash10-003j-9830000000-e19776b88bc123e5c90e
Source of Spectrum CAJ-2-745-17
Wiley ID 1774972