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tert-Butyl 3-((E)-2-{benzyl-[(4-methylphenyl)sulfonyl]amino}ethynyl)-1H-indole-1-carboxylate
SpectraBase Compound ID 7Da3VbA88a3
InChI InChI=1S/C29H30N2O4S/c1-22-14-16-25(17-15-22)36(33,34)30(20-23-10-6-5-7-11-23)19-18-24-21-31(28(32)35-29(2,3)4)27-13-9-8-12-26(24)27/h5-19,21H,20H2,1-4H3/b19-18+
InChIKey PGGRWVLPSKRBDN-VHEBQXMUSA-N
Mol Weight 502.63 g/mol
Molecular Formula C29H30N2O4S
Exact Mass 502.192629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ek3cg2veKT
Name tert-Butyl 3-((E)-2-{benzyl-[(4-methylphenyl)sulfonyl]amino}ethynyl)-1H-indole-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H30N2O4S
InChI InChI=1S/C29H30N2O4S/c1-22-14-16-25(17-15-22)36(33,34)30(20-23-10-6-5-7-11-23)19-18-24-21-31(28(32)35-29(2,3)4)27-13-9-8-12-26(24)27/h5-19,21H,20H2,1-4H3/b19-18+
InChIKey PGGRWVLPSKRBDN-VHEBQXMUSA-N
Molecular Weight 502.629 g/mol
SMILES c1(\C=C\N(S(c2ccc(cc2)C)(=O)=O)Cc2ccccc2)c[n](C(OC(C)(C)C)=O)c2c1cccc2
SPLASH splash10-0006-9520000000-b4cf32f9410b05ca0096
Source of Spectrum F-56-8478-15
Synonyms tert-Butyl 3-((E)-2-{benzyl[(4-methylphenyl)sulfonyl]amino}ethenyl)-1H-indole-1-carboxylate
Wiley ID 859008