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3-(1H-Tetrazol-5-yl)-9H-thioxanthen-9-one 10,10-dioxide monohydrate

View entire compound with spectra: 2 NMR, and 1 FTIR

3-(1H-Tetrazol-5-yl)-9H-thioxanthen-9-one 10,10-dioxide monohydrate
SpectraBase Compound ID 54Q2usIABvb
InChI InChI=1S/C14H8N4O3S.O/c19-13-9-3-1-2-4-11(9)22(20,21)12-7-8(5-6-10(12)13)14-15-17-18-16-14;/h1-7H,(H,15,16,17,18);
InChIKey HGTUFNXTMVAVAM-UHFFFAOYSA-N
Mol Weight 328.302 g/mol
Molecular Formula C14H8N4O4S
Exact Mass 328.026626 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 67JmUtR8jtl
Name 3-(1H-Tetrazol-5-yl)-9H-thioxanthen-9-one 10,10-dioxide monohydrate
Source of Sample Aldrich
Catalog Number 346403
CAS Registry Number 56030-55-8
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H8N4O3S*H2O
InChI InChI=1S/C14H8N4O3S.O/c19-13-9-3-1-2-4-11(9)22(20,21)12-7-8(5-6-10(12)13)14-15-17-18-16-14;/h1-7H,(H,15,16,17,18);
InChIKey HGTUFNXTMVAVAM-UHFFFAOYSA-N
Purity 95%
Synonyms Doxantrazole
Wiley ID SIAL_ATR-IR_016415