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3-Cyclohexene-1-carboxylic acid, 2-[(ethoxycarbonyl)amino]-6-methyl-, methyl ester, (1.alpha.,2.alpha.,6.beta.)-
SpectraBase Compound ID 25MZyYP56sM
InChI InChI=1S/C12H19NO4/c1-4-17-12(15)13-9-7-5-6-8(2)10(9)11(14)16-3/h5,7-10H,4,6H2,1-3H3,(H,13,15)/t8-,9-,10+/m1/s1
InChIKey CRQMGYLYXUBGIR-BBBLOLIVSA-N
Mol Weight 241.29 g/mol
Molecular Formula C12H19NO4
Exact Mass 241.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ehFyfAL6zw
Name 3-Cyclohexene-1-carboxylic acid, 2-[(ethoxycarbonyl)amino]-6-methyl-, methyl ester, (1.alpha.,2.alpha.,6.beta.)-
Alternate Name(s) Ethyl cis-6-(methoxycarbonyl)-cis-4-methyl-2-cyclohexen-1-yl carbamate Methyl (1S,2R,6R)-2-[(ethoxycarbonyl)amino]-6-methyl-3-cyclohexene-1-carboxylate
CAS Registry Number 77627-90-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO4
InChI InChI=1S/C12H19NO4/c1-4-17-12(15)13-9-7-5-6-8(2)10(9)11(14)16-3/h5,7-10H,4,6H2,1-3H3,(H,13,15)/t8-,9-,10+/m1/s1
InChIKey CRQMGYLYXUBGIR-BBBLOLIVSA-N
Molecular Weight 241.287 g/mol
SMILES N([C@]1([C@@](C(=O)OC)([C@@](CC=C1)(C)[H])[H])[H])C(=O)OCC
SPLASH splash10-052f-6900000000-5ea3ad40c2570bc8d8c0
Source of Spectrum C-103-2820-0
Wiley ID 1243994