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2-Phenyl-3-benzyl-7-nitro-1,4-benzoxathiine-4,4-dioxide
SpectraBase Compound ID 1j2vCEbZ56C
InChI InChI=1S/C21H15NO5S/c23-22(24)17-11-12-19-18(14-17)27-21(16-9-5-2-6-10-16)20(28(19,25)26)13-15-7-3-1-4-8-15/h1-12,14H,13H2
InChIKey BJCOMWYYTFAVNV-UHFFFAOYSA-N
Mol Weight 393.41 g/mol
Molecular Formula C21H15NO5S
Exact Mass 393.067094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6kChV91DST6
Name 2-Phenyl-3-benzyl-7-nitro-1,4-benzoxathiine-4,4-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15NO5S
InChI InChI=1S/C21H15NO5S/c23-22(24)17-11-12-19-18(14-17)27-21(16-9-5-2-6-10-16)20(28(19,25)26)13-15-7-3-1-4-8-15/h1-12,14H,13H2
InChIKey BJCOMWYYTFAVNV-UHFFFAOYSA-N
Molecular Weight 393.413 g/mol
SMILES C=1(S(c2c(OC1c1ccccc1)cc(cc2)N(=O)=O)(=O)=O)Cc1ccccc1
SPLASH splash10-0596-1930000000-10bce95ee3d5f9602913
Source of Spectrum SK-26-3986-3
Synonyms 3-Benzyl-7-nitro-2-phenyl-1,4-benzoxathiin 4,4-dioxide 7-Nitro-2-phenyl-3-(phenylmethyl)-1,4$l^{6}-benzoxathiin 4,4-dioxide 3-Benzyl-7-nitro-2-phenyl-1,4$l^{6}-benzoxathiine 4,4-dioxide 7-Nitro-2-phenyl-3-(phenylmethyl)-1,4$l^{6}-benzoxathiine 4,4-dioxide
Wiley ID 867443