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1-(9H-Fluoren-2-yl)-4-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]-1-butanone
SpectraBase Compound ID BrkQi0dvRIE
InChI InChI=1S/C24H20N4OS/c29-23(18-12-13-22-19(16-18)15-17-7-4-5-10-21(17)22)11-6-14-30-24-25-26-27-28(24)20-8-2-1-3-9-20/h1-5,7-10,12-13,16H,6,11,14-15H2
InChIKey GALQKSXXKYPSKI-UHFFFAOYSA-N
Mol Weight 412.51 g/mol
Molecular Formula C24H20N4OS
Exact Mass 412.135782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GSC4w8XWJT
Name 1-(9H-Fluoren-2-yl)-4-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]-1-butanone
CAS Registry Number 345993-39-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H20N4OS
InChI InChI=1S/C24H20N4OS/c29-23(18-12-13-22-19(16-18)15-17-7-4-5-10-21(17)22)11-6-14-30-24-25-26-27-28(24)20-8-2-1-3-9-20/h1-5,7-10,12-13,16H,6,11,14-15H2
InChIKey GALQKSXXKYPSKI-UHFFFAOYSA-N
Molecular Weight 412.511 g/mol
SMILES c1ccc(-[n]2c(nnn2)SCCCC(c2cc3Cc4ccccc4-c3cc2)=O)cc1
SPLASH splash10-00lu-3980100000-4e226cffcfda0f0777ca
Synonyms 1-(9H-Fluoren-2-yl)-4-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-butan-1-one 1-(9H-fluoren-2-yl)-4-(1-phenyltetrazol-5-yl)sulfanyl-butan-1-one 1-(9H-fluoren-2-yl)-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butan-1-one 1-(9H-fluoren-2-yl)-4-[(1-phenyl-5-tetrazolyl)thio]-1-butanone 1-(9H-fluoren-2-yl)-4-[(1-phenyltetrazol-5-yl)thio]butan-1-one
Wiley ID 1461258