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6H-Benzo[3,4]cyclohepta[1,2-e]pyrazolo[1,5-a]pyrimidine, 7,8-dihydro-5-(methylthio)-
SpectraBase Compound ID F8mluz2nCtE
InChI InChI=1S/C16H15N3S/c1-20-16-13-8-4-6-11-5-2-3-7-12(11)15(13)19-14(18-16)9-10-17-19/h2-3,5,7,9-10H,4,6,8H2,1H3
InChIKey UJUHPEVJRVUSMG-UHFFFAOYSA-N
Mol Weight 281.38 g/mol
Molecular Formula C16H15N3S
Exact Mass 281.098669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J88QTwoUsEe
Name 6H-Benzo[3,4]cyclohepta[1,2-e]pyrazolo[1,5-a]pyrimidine, 7,8-dihydro-5-(methylthio)-
CAS Registry Number 128039-58-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N3S
InChI InChI=1S/C16H15N3S/c1-20-16-13-8-4-6-11-5-2-3-7-12(11)15(13)19-14(18-16)9-10-17-19/h2-3,5,7,9-10H,4,6,8H2,1H3
InChIKey UJUHPEVJRVUSMG-UHFFFAOYSA-N
Molecular Weight 281.377 g/mol
SMILES C=12[n]3c(ccn3)N=C(C1CCCc1c2cccc1)SC
SPLASH splash10-001j-0090000000-c9ff273cf824047a6a62
Source of Spectrum F-46-585-16
Synonyms 5-(methylsulfanyl)-7,8-dihydro-6H-benzo[3,4]cyclohepta[1,2-e]pyrazolo[1,5-a]pyrimidine 5-Methylthio-7,8-dihydro-6H-benzocyclohepta[2,1-e]pyrazolo[1,5-a]pyrimidine 7,8-dihydro-6H-benzo[3,4]cyclohepta[1,2-e]pyrazolo[1,5-a]pyrimidin-5-yl methyl sulfide
Wiley ID 1284929