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3-Cyclohexene-1-carboxylic acid, 5-butyl-2-(2-oxo-1-pyrrolidinyl)-, ethyl ester, (1.alpha.,2.beta.,5.beta.)-
SpectraBase Compound ID 1uJ3cfhSSTL
InChI InChI=1S/C17H27NO3/c1-3-5-7-13-9-10-15(18-11-6-8-16(18)19)14(12-13)17(20)21-4-2/h9-10,13-15H,3-8,11-12H2,1-2H3/t13-,14+,15+/m1/s1
InChIKey BIFHURLZIAAKJD-ILXRZTDVSA-N
Mol Weight 293.41 g/mol
Molecular Formula C17H27NO3
Exact Mass 293.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VYciLp6eGj
Name 3-Cyclohexene-1-carboxylic acid, 5-butyl-2-(2-oxo-1-pyrrolidinyl)-, ethyl ester, (1.alpha.,2.beta.,5.beta.)-
Alternate Name(s) 6-Ethoxycarbonyl-4-n-butyl-1-(5-oxo-3,4-dihydro-2H-pyrrolyl)-2-cyclohexene Ethyl (1S,2S,5S)-5-butyl-2-(2-oxo-1-pyrrolidinyl)-3-cyclohexene-1-carboxylate
CAS Registry Number 112683-18-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H27NO3
InChI InChI=1S/C17H27NO3/c1-3-5-7-13-9-10-15(18-11-6-8-16(18)19)14(12-13)17(20)21-4-2/h9-10,13-15H,3-8,11-12H2,1-2H3/t13-,14+,15+/m1/s1
InChIKey BIFHURLZIAAKJD-ILXRZTDVSA-N
Molecular Weight 293.407 g/mol
SMILES [C@@]1([C@@](N2C(=O)CCC2)(C=C[C@](C1)(CCCC)[H])[H])(C(=O)OCC)[H]
SPLASH splash10-001c-9100000000-4baa2127c50cb2c73e74
Source of Spectrum J-53-1165-19
Wiley ID 1296411