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Ethyl 2-(7-benzyloxy-3-methyl-1-phenylsulphonyl-1H-indol-4-yl)-3-chloropropenoate
SpectraBase Compound ID Jm5cqg7W1KH
InChI InChI=1S/C27H24ClNO5S/c1-3-33-27(30)23(16-28)22-14-15-24(34-18-20-10-6-4-7-11-20)26-25(22)19(2)17-29(26)35(31,32)21-12-8-5-9-13-21/h4-17H,3,18H2,1-2H3/b23-16-
InChIKey YXIRBICMSSXQOO-KQWNVCNZSA-N
Mol Weight 510.0 g/mol
Molecular Formula C27H24ClNO5S
Exact Mass 509.106372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRwDLCUChrs
Name Ethyl 2-(7-benzyloxy-3-methyl-1-phenylsulphonyl-1H-indol-4-yl)-3-chloropropenoate
Alternate Name(s) Ethyl (2Z)-2-[7-(benzyloxy)-3-methyl-1-(phenylsulfonyl)-1H-indol-4-yl]-3-chloro-2-propenoate
CAS Registry Number 119098-02-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24ClNO5S
InChI InChI=1S/C27H24ClNO5S/c1-3-33-27(30)23(16-28)22-14-15-24(34-18-20-10-6-4-7-11-20)26-25(22)19(2)17-29(26)35(31,32)21-12-8-5-9-13-21/h4-17H,3,18H2,1-2H3/b23-16-
InChIKey YXIRBICMSSXQOO-KQWNVCNZSA-N
Molecular Weight 510.004 g/mol
SMILES c1(S([n]2c3c(c(\C(C(=O)OCC)=C\Cl)ccc3OCc3ccccc3)c(c2)C)(=O)=O)ccccc1
SPLASH splash10-0006-9022010000-c77be3e44247f5a17176
Source of Spectrum KC-1988-2496-12
Wiley ID 1400358