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1-Benzo[1,3]dioxol-5-yl-5-(4-tert-butyl-benzylsulfanyl)-1H-tetrazole
SpectraBase Compound ID FCYmcIbGzoK
InChI InChI=1S/C19H20N4O2S/c1-19(2,3)14-6-4-13(5-7-14)11-26-18-20-21-22-23(18)15-8-9-16-17(10-15)25-12-24-16/h4-10H,11-12H2,1-3H3
InChIKey MDDSYHLJMKJSHX-UHFFFAOYSA-N
Mol Weight 368.46 g/mol
Molecular Formula C19H20N4O2S
Exact Mass 368.130697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8q5HiGdD1vB
Name 1-Benzo[1,3]dioxol-5-yl-5-(4-tert-butyl-benzylsulfanyl)-1H-tetrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20N4O2S
InChI InChI=1S/C19H20N4O2S/c1-19(2,3)14-6-4-13(5-7-14)11-26-18-20-21-22-23(18)15-8-9-16-17(10-15)25-12-24-16/h4-10H,11-12H2,1-3H3
InChIKey MDDSYHLJMKJSHX-UHFFFAOYSA-N
Molecular Weight 368.455 g/mol
SMILES CC(c1ccc(CSc2[n](nnn2)-c2cc3OCOc3cc2)cc1)(C)C
SPLASH splash10-0a4i-8900000000-1a8b80f7e3c5470f7349
Synonyms 1-(1,3-Benzodioxol-5-yl)-1H-tetraazol-5-yl 4-tert-butylbenzyl sulfide 1-(1,3-benzodioxol-5-yl)-5-[(4-tert-butylbenzyl)thio]tetrazole 1-(1,3-benzodioxol-5-yl)-5-[(4-tert-butylphenyl)methylsulfanyl]-1,2,3,4-tetrazole 1-(1,3-benzodioxol-5-yl)-5-[(4-tert-butylphenyl)methylsulfanyl]tetrazole 1-(1,3-benzodioxol-5-yl)-5-[(4-tert-butylphenyl)methylthio]tetrazole
Wiley ID 1454730