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1-(2,4-dimethoxyphenyl)-4-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]-1-butanone
SpectraBase Compound ID 5GxuknBsiGc
InChI InChI=1S/C19H20N4O3S/c1-25-15-10-11-16(18(13-15)26-2)17(24)9-6-12-27-19-20-21-22-23(19)14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3
InChIKey BQPGVNJYQNUYBE-UHFFFAOYSA-N
Mol Weight 384.45 g/mol
Molecular Formula C19H20N4O3S
Exact Mass 384.125612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jVvO5cMngn
Name 1-(2,4-dimethoxyphenyl)-4-(1-phenyltetrazol-5-yl)sulfanyl-butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20N4O3S
InChI InChI=1S/C19H20N4O3S/c1-25-15-10-11-16(18(13-15)26-2)17(24)9-6-12-27-19-20-21-22-23(19)14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3
InChIKey BQPGVNJYQNUYBE-UHFFFAOYSA-N
Molecular Weight 384.454 g/mol
SMILES c1ccc(-[n]2c(nnn2)SCCCC(c2c(cc(cc2)OC)OC)=O)cc1
SPLASH splash10-014i-2910000000-200c7cfb8d7ecbe24d01
Synonyms 1-(2,4-dimethoxyphenyl)-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butan-1-one 1-(2,4-dimethoxyphenyl)-4-[(1-phenyl-5-tetrazolyl)thio]-1-butanone 1-(2,4-dimethoxyphenyl)-4-[(1-phenyltetrazol-5-yl)thio]butan-1-one
Wiley ID 1452144