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2-(p-Bromophenyl)-3-methyl-7-nitro-1,4-benzoxathiine-4,4-dioxide
SpectraBase Compound ID LFjaOE53U2k
InChI InChI=1S/C15H10BrNO5S/c1-9-15(10-2-4-11(16)5-3-10)22-13-8-12(17(18)19)6-7-14(13)23(9,20)21/h2-8H,1H3
InChIKey VSETXPYMWWJGIU-UHFFFAOYSA-N
Mol Weight 396.21 g/mol
Molecular Formula C15H10BrNO5S
Exact Mass 394.946307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3mWcMdyHlA
Name 2-(p-Bromophenyl)-3-methyl-7-nitro-1,4-benzoxathiine-4,4-dioxide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H10BrNO5S
InChI InChI=1S/C15H10BrNO5S/c1-9-15(10-2-4-11(16)5-3-10)22-13-8-12(17(18)19)6-7-14(13)23(9,20)21/h2-8H,1H3
InChIKey VSETXPYMWWJGIU-UHFFFAOYSA-N
Molecular Weight 396.211 g/mol
SMILES C=1(S(c2c(OC1c1ccc(cc1)Br)cc(cc2)N(=O)=O)(=O)=O)C
SPLASH splash10-001i-0319000000-31d1482e1ae6adaac182
Source of Spectrum SK-26-3987-3
Synonyms 2-(4-bromophenyl)-3-methyl-7-nitro-1,4-benzoxathiin 4,4-dioxide 2-(4-bromophenyl)-3-methyl-7-nitro-1,4-benzoxathiine 4,4-dioxide 2-(4-bromophenyl)-3-methyl-7-nitro-1,4$l^{6}-benzoxathiine 4,4-dioxide
Wiley ID 867439