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2-phenyl-1,5,6,7-tetrahydrothiopyrano[3,2-c]pyrazol-3-one
SpectraBase Compound ID EjlsspdqbDg
InChI InChI=1S/C12H12N2OS/c15-12-11-10(7-4-8-16-11)13-14(12)9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2
InChIKey AGNJQKYVVKMOJH-UHFFFAOYSA-N
Mol Weight 232.3 g/mol
Molecular Formula C12H12N2OS
Exact Mass 232.067034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdlPdSqcvIj
Name 2-phenyl-1,5,6,7-tetrahydrothiopyrano[3,2-c]pyrazol-3-one
CAS Registry Number 124187-75-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2OS
InChI InChI=1S/C12H12N2OS/c15-12-11-10(7-4-8-16-11)13-14(12)9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2
InChIKey AGNJQKYVVKMOJH-UHFFFAOYSA-N
Molecular Weight 232.301 g/mol
SMILES N1C2=C(C(N1c1ccccc1)=O)SCCC2
SPLASH splash10-001i-0390000000-1c3f0e124e02447afe9d
Source of Spectrum Y-26-185-5
Wiley ID 1233562