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2-Phenyl-3-(4'-chlorobenzyl)-7-nitro-1,4-benzoxathiine-4,4-dioxide
SpectraBase Compound ID 5eLVHy2e6og
InChI InChI=1S/C21H14ClNO5S/c22-16-8-6-14(7-9-16)12-20-21(15-4-2-1-3-5-15)28-18-13-17(23(24)25)10-11-19(18)29(20,26)27/h1-11,13H,12H2
InChIKey XSFRTBIZFFLUPY-UHFFFAOYSA-N
Mol Weight 427.86 g/mol
Molecular Formula C21H14ClNO5S
Exact Mass 427.028121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1K2aNpiAiTJ
Name 2-Phenyl-3-(4'-chlorobenzyl)-7-nitro-1,4-benzoxathiine-4,4-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14ClNO5S
InChI InChI=1S/C21H14ClNO5S/c22-16-8-6-14(7-9-16)12-20-21(15-4-2-1-3-5-15)28-18-13-17(23(24)25)10-11-19(18)29(20,26)27/h1-11,13H,12H2
InChIKey XSFRTBIZFFLUPY-UHFFFAOYSA-N
Molecular Weight 427.858 g/mol
SMILES C=1(S(c2c(OC1c1ccccc1)cc(cc2)N(=O)=O)(=O)=O)Cc1ccc(cc1)Cl
SPLASH splash10-0a6r-1920100000-bd3d124e5d6fa0cb9199
Source of Spectrum SK-26-3986-3
Synonyms 3-(4-Chlorobenzyl)-7-nitro-2-phenyl-1,4-benzoxathiin 4,4-dioxide 3-[(4-chlorophenyl)methyl]-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiin 4,4-dioxide 3-[(4-chlorophenyl)methyl]-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiine 4,4-dioxide
Wiley ID 867441