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Isobenzofuran-1(3H)-one, 1,3-dihydro-5-(5-mercapto-1-tetrazolyl)-
SpectraBase Compound ID 5eNHyqB7Ij9
InChI InChI=1S/C9H6N4O2S/c14-8-7-2-1-6(3-5(7)4-15-8)13-9(16)10-11-12-13/h1-3H,4H2,(H,10,12,16)
InChIKey BESMIRDNRLJUMM-UHFFFAOYSA-N
Mol Weight 234.23 g/mol
Molecular Formula C9H6N4O2S
Exact Mass 234.021147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9WK1udD7lan
Name Isobenzofuran-1(3H)-one, 1,3-dihydro-5-(5-mercapto-1-tetrazolyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6N4O2S
InChI InChI=1S/C9H6N4O2S/c14-8-7-2-1-6(3-5(7)4-15-8)13-9(16)10-11-12-13/h1-3H,4H2,(H,10,12,16)
InChIKey BESMIRDNRLJUMM-UHFFFAOYSA-N
Molecular Weight 234.233 g/mol
SMILES Sc1[n](nnn1)-c1cc2COC(c2cc1)=O
SPLASH splash10-03e9-6910000000-a7d4686a2a865939536c
Source of Spectrum AD-0-2532-0
Synonyms 5-(5-Sulfanyl-1H-tetraazol-1-yl)-2-benzofuran-1(3H)-one 5-(5-Sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)-3H-2-benzofuran-1-one 5-(5-Sulfanylidene-2H-tetrazol-1-yl)-3H-2-benzofuran-1-one 5-(5-Sulfanylidene-2H-tetrazol-1-yl)-3H-isobenzofuran-1-one 5-(5-Thioxo-2H-tetrazol-1-yl)-3H-isobenzofuran-1-one 5-(5-Thioxo-2H-tetrazol-1-yl)phthalide
Wiley ID 1433583