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N-(4-Nitrobenzenesulfonyl) methyl [5-(N-phenyltetrazolyl)] sulfoximine
SpectraBase Compound ID KadYRW440VM
InChI InChI=1S/C14H12N6O5S2/c1-26(23,14-15-16-17-19(14)11-5-3-2-4-6-11)18-27(24,25)13-9-7-12(8-10-13)20(21)22/h2-10H,1H3
InChIKey DTOZVXJCKATNNG-UHFFFAOYSA-N
Mol Weight 408.41 g/mol
Molecular Formula C14H12N6O5S2
Exact Mass 408.03106 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 70uW1lmPRZv
Name N-(4-Nitrobenzenesulfonyl) methyl [5-(N-phenyltetrazolyl)] sulfoximine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12N6O5S2
InChI InChI=1S/C14H12N6O5S2/c1-26(23,14-15-16-17-19(14)11-5-3-2-4-6-11)18-27(24,25)13-9-7-12(8-10-13)20(21)22/h2-10H,1H3
InChIKey DTOZVXJCKATNNG-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol900660x
Molecular Weight 408.407 g/mol
SMILES c1([n](nnn1)-c1ccccc1)S(=NS(c1ccc(cc1)[N+](=O)[O-])(=O)=O)(=O)C
SPLASH splash10-014i-1900000000-93f7f5283096e96ee309
Source of Spectrum A1-11-2429/SMS8-2q
Wiley ID 1756801