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N-(2-Ethoxycarbonyl-1-cyclohexenyl)-(S)-methyl-L-cysteine ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-(2-Ethoxycarbonyl-1-cyclohexenyl)-(S)-methyl-L-cysteine ethyl ester
SpectraBase Compound ID Gam00VdtYps
InChI InChI=1S/C15H25NO4S/c1-4-19-14(17)11-8-6-7-9-12(11)16-13(10-21-3)15(18)20-5-2/h13,16H,4-10H2,1-3H3/t13-/m0/s1
InChIKey RIIRAZPXDZLZCX-ZDUSSCGKSA-N
Mol Weight 315.43 g/mol
Molecular Formula C15H25NO4S
Exact Mass 315.150429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GVZXMxij5Ll
Name N-(2-Ethoxycarbonyl-1-cyclohexenyl)-(S)-methyl-L-cysteine ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 315.150429459 u
Formula C15H25NO4S
InChI InChI=1S/C15H25NO4S/c1-4-19-14(17)11-8-6-7-9-12(11)16-13(10-21-3)15(18)20-5-2/h13,16H,4-10H2,1-3H3/t13-/m0/s1
InChIKey RIIRAZPXDZLZCX-ZDUSSCGKSA-N
Molecular Weight 315.428 g/mol
SMILES C1(=C(N[C@](C(=O)OCC)(CSC)[H])CCCC1)C(=O)OCC