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1-Benzyl 2-tert-butyl (2S)-4-cyclohexyl-2,3-dihydro-1H-pyrrole-1,2-dicarboxylate
SpectraBase Compound ID FqFmYiuRy41
InChI InChI=1S/C23H31NO4/c1-23(2,3)28-21(25)20-14-19(18-12-8-5-9-13-18)15-24(20)22(26)27-16-17-10-6-4-7-11-17/h4,6-7,10-11,15,18,20H,5,8-9,12-14,16H2,1-3H3/t20-/m0/s1
InChIKey VHWNMIXXGQXILD-FQEVSTJZSA-N
Mol Weight 385.5 g/mol
Molecular Formula C23H31NO4
Exact Mass 385.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FUJJ6m1wHzm
Name 1-Benzyl 2-tert-butyl (2S)-4-cyclohexyl-2,3-dihydro-1H-pyrrole-1,2-dicarboxylate
Alternate Name(s) (S)-1-benzyl 2-tert-butyl 4-cyclohexyl-2,3-dihydro-1H-pyrrole-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31NO4
InChI InChI=1S/C23H31NO4/c1-23(2,3)28-21(25)20-14-19(18-12-8-5-9-13-18)15-24(20)22(26)27-16-17-10-6-4-7-11-17/h4,6-7,10-11,15,18,20H,5,8-9,12-14,16H2,1-3H3/t20-/m0/s1
InChIKey VHWNMIXXGQXILD-FQEVSTJZSA-N
Literature Reference DOI 10.1021/ol502239g
Molecular Weight 385.504 g/mol
SMILES c1(ccccc1)COC(N1C=C(C[C@]1(C(=O)OC(C)(C)C)[H])C1CCCCC1)=O
SPLASH splash10-000i-4049000000-9457081b5fbc58cdd5c8
Source of Spectrum A1-16-4778/SMS7-4e
Wiley ID 1751224