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t-Butyl (3R,4aR,8aS,9S,9aR)-1-benzyl-5-oxo-3-phenyldecahydro-1H-imidazo[1,2-a]indole-9-carboxylate
SpectraBase Compound ID 4l4kLt05R8N
InChI InChI=1S/C28H34N2O3/c1-28(2,3)33-27(32)24-21-15-10-16-23(31)25(21)30-22(20-13-8-5-9-14-20)18-29(26(24)30)17-19-11-6-4-7-12-19/h4-9,11-14,21-22,24-26H,10,15-18H2,1-3H3/t21-,22-,24-,25+,26+/m0/s1
InChIKey JKRUYJXMMYSLQQ-PMKNUOBQSA-N
Mol Weight 446.6 g/mol
Molecular Formula C28H34N2O3
Exact Mass 446.256943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BKYmtVPTcSb
Name t-Butyl (3R,4aR,8aS,9S,9aR)-1-benzyl-5-oxo-3-phenyldecahydro-1H-imidazo[1,2-a]indole-9-carboxylate
Alternate Name(s) (3R,4aR,8aS,9S,9aR)-tert-butyl 1-benzyl-5-oxo-3-phenyldecahydro-1H-imidazo[1,2-a]indole-9-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H34N2O3
InChI InChI=1S/C28H34N2O3/c1-28(2,3)33-27(32)24-21-15-10-16-23(31)25(21)30-22(20-13-8-5-9-14-20)18-29(26(24)30)17-19-11-6-4-7-12-19/h4-9,11-14,21-22,24-26H,10,15-18H2,1-3H3/t21-,22-,24-,25+,26+/m0/s1
InChIKey JKRUYJXMMYSLQQ-PMKNUOBQSA-N
Molecular Weight 446.591 g/mol
SMILES [C@@]12(N([C@@]3([C@]([C@@]2(C(OC(C)(C)C)=O)[H])(CCCC3=O)[H])[H])[C@@](CN1Cc1ccccc1)(c1ccccc1)[H])[H]
SPLASH splash10-0007-7097000000-0bca9ee0c8e74778fced
Source of Spectrum F5-4-3162-11
Wiley ID 1732930