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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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6CpTpLhIv3f
Name 3-(1H-Tetrazol-5-yl)-9H-thioxanthen-9-one 10,10-dioxide monohydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 346403
CAS Registry Number 56030-55-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H8N4O4S
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
Observed nucleus 1H
Purity 95%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Doxantrazole
Wiley ID SIAL_1HNMR_007159