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tert-Butyl 5-((E)-2-{benzyl-[(4-methylphenyl)sulfonyl]amino}ethynyl)-1H-indole-1-carboxylate
SpectraBase Compound ID 2SvTHLp7SFe
InChI InChI=1S/C29H30N2O4S/c1-22-10-13-26(14-11-22)36(33,34)30(21-24-8-6-5-7-9-24)18-16-23-12-15-27-25(20-23)17-19-31(27)28(32)35-29(2,3)4/h5-20H,21H2,1-4H3/b18-16+
InChIKey XIVFROYRVQIHMG-FBMGVBCBSA-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 16gqGLt1r7Z
Name tert-Butyl 5-((E)-2-{benzyl-[(4-methylphenyl)sulfonyl]amino}ethynyl)-1H-indole-1-carboxylate
Alternate Name(s) tert-Butyl 5-((E)-2-{benzyl[(4-methylphenyl)sulfonyl]amino}ethenyl)-1H-indole-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H30N2O4S
InChI InChI=1S/C29H30N2O4S/c1-22-10-13-26(14-11-22)36(33,34)30(21-24-8-6-5-7-9-24)18-16-23-12-15-27-25(20-23)17-19-31(27)28(32)35-29(2,3)4/h5-20H,21H2,1-4H3/b18-16+
InChIKey XIVFROYRVQIHMG-FBMGVBCBSA-N
Molecular Weight 502.629 g/mol
SMILES c1(\C=C\N(S(c2ccc(cc2)C)(=O)=O)Cc2ccccc2)cc2cc[n](c2cc1)C(OC(C)(C)C)=O
SPLASH splash10-0006-9350200000-a3d315da6499541e6450
Source of Spectrum F-56-8478-11
Wiley ID 859011