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4-tert-Butyl-5-(1-phenyl-1H-tetrazol-5-ylthio)benzene-1,2-diol

View entire compound with spectra: 2 MS (GC)

4-tert-Butyl-5-(1-phenyl-1H-tetrazol-5-ylthio)benzene-1,2-diol
SpectraBase Compound ID Jw2BvVsEHIO
InChI InChI=1S/C17H18N4O2S/c1-17(2,3)12-9-13(22)14(23)10-15(12)24-16-18-19-20-21(16)11-7-5-4-6-8-11/h4-10,22-23H,1-3H3
InChIKey AUFWHQILNOSBJP-UHFFFAOYSA-N
Mol Weight 342.42 g/mol
Molecular Formula C17H18N4O2S
Exact Mass 342.115047 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Rw2A7aDDKV
Name 4-tert-Butyl-5-(1-phenyl-1H-tetrazol-5-ylthio)benzene-1,2-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N4O2S
InChI InChI=1S/C17H18N4O2S/c1-17(2,3)12-9-13(22)14(23)10-15(12)24-16-18-19-20-21(16)11-7-5-4-6-8-11/h4-10,22-23H,1-3H3
InChIKey AUFWHQILNOSBJP-UHFFFAOYSA-N
Molecular Weight 342.417 g/mol
SMILES Oc1c(cc(c(c1)Sc1[n](nnn1)-c1ccccc1)C(C)(C)C)O
SPLASH splash10-0006-2918000000-53e22fded52021c0a284
Source of Spectrum E1-59-1151-1A
Synonyms 4-(tert-butyl)-5-((1-phenyl-1H-tetrazol-5-yl)thio)benzene-1,2-diol
Wiley ID 1705439