For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-Phenyl-3-(4'-bromobenzyl)-7-nitro-1,4-benzoxathiine-4,4-dioxide
SpectraBase Compound ID 39zW9wC1vfp
InChI InChI=1S/C21H14BrNO5S/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 ZIGNFQOQVFRCHS-UHFFFAOYSA-N
Mol Weight 472.31 g/mol
Molecular Formula C21H14BrNO5S
Exact Mass 470.977607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GU6h8KsNn0
Name 2-Phenyl-3-(4'-bromobenzyl)-7-nitro-1,4-benzoxathiine-4,4-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14BrNO5S
InChI InChI=1S/C21H14BrNO5S/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 ZIGNFQOQVFRCHS-UHFFFAOYSA-N
Molecular Weight 472.309 g/mol
SMILES C=1(S(c2c(OC1c1ccccc1)cc(cc2)N(=O)=O)(=O)=O)Cc1ccc(cc1)Br
SPLASH splash10-0ab9-0920500000-1fc2f1a673c9e9c10dbe
Source of Spectrum SK-26-3896-3
Synonyms 3-(4-bromobenzyl)-7-nitro-2-phenyl-1,4-benzoxathiin 4,4-dioxide 3-[(4-bromophenyl)methyl]-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiin 4,4-dioxide 3-[(4-bromophenyl)methyl]-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiine 4,4-dioxide
Wiley ID 867442