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6H-Indeno[2,1-e]pyrazolo[1,5-a]pyrimidine, 5-(methylthio)-
SpectraBase Compound ID J7sdn3yy3Jp
InChI InChI=1S/C14H11N3S/c1-18-14-11-8-9-4-2-3-5-10(9)13(11)17-12(16-14)6-7-15-17/h2-7H,8H2,1H3
InChIKey ARHJTIWPNBJWMP-UHFFFAOYSA-N
Mol Weight 253.32 g/mol
Molecular Formula C14H11N3S
Exact Mass 253.067369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkyrfkOhvMV
Name 6H-Indeno[2,1-e]pyrazolo[1,5-a]pyrimidine, 5-(methylthio)-
Alternate Name(s) 5-(methylsulfanyl)-6H-indeno[2,1-e]pyrazolo[1,5-a]pyrimidine 5-Methylthio-6H-indeno[2,1-e]pyrazolo[1,5-a]pyrimidine 6H-indeno[2,1-e]pyrazolo[1,5-a]pyrimidin-5-yl methyl sulfide
CAS Registry Number 128039-56-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11N3S
InChI InChI=1S/C14H11N3S/c1-18-14-11-8-9-4-2-3-5-10(9)13(11)17-12(16-14)6-7-15-17/h2-7H,8H2,1H3
InChIKey ARHJTIWPNBJWMP-UHFFFAOYSA-N
Molecular Weight 253.323 g/mol
SMILES C12=C([n]3nccc3N=C2SC)c2ccccc2C1
SPLASH splash10-0uk9-0090000000-d0c37d22c9951d264874
Source of Spectrum F-46-585-16
Wiley ID 1256774