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5-(4-Chlorobenzensulfonyl)-5,6-dihydro-6-methoxycarbonylmethyl-7-methylphenanthridine
SpectraBase Compound ID 2RGeGyXCEgP
InChI InChI=1S/C23H20ClNO4S/c1-15-6-5-8-19-18-7-3-4-9-20(18)25(21(23(15)19)14-22(26)29-2)30(27,28)17-12-10-16(24)11-13-17/h3-13,21H,14H2,1-2H3
InChIKey VSPKETYDNUWUIR-UHFFFAOYSA-N
Mol Weight 441.93 g/mol
Molecular Formula C23H20ClNO4S
Exact Mass 441.080157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GnO7RoUztXW
Name 5-(4-Chlorobenzensulfonyl)-5,6-dihydro-6-methoxycarbonylmethyl-7-methylphenanthridine
Alternate Name(s) Methyl 2-(5-((4-chlorophenyl)sulfonyl)-7-methyl-5,6-dihydrophenanthridin-6-yl)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20ClNO4S
InChI InChI=1S/C23H20ClNO4S/c1-15-6-5-8-19-18-7-3-4-9-20(18)25(21(23(15)19)14-22(26)29-2)30(27,28)17-12-10-16(24)11-13-17/h3-13,21H,14H2,1-2H3
InChIKey VSPKETYDNUWUIR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800512
Molecular Weight 441.929 g/mol
SMILES c1c-2c(ccc1)N(S(c1ccc(cc1)Cl)(=O)=O)C(CC(OC)=O)c1c(C)cccc21
SPLASH splash10-00kf-0913000000-433c94197755f29b6db9
Source of Spectrum ASC-350-2513/SM7-4j
Wiley ID 1765851