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1,2,4-Triazin-3(2H)-one, 5-(2-butenylthio)-
SpectraBase Compound ID JT6h5ilv9nT
InChI InChI=1S/C7H9N3OS/c1-2-3-4-12-6-5-8-10-7(11)9-6/h2-3,5H,4H2,1H3,(H,9,10,11)/b3-2+
InChIKey YBALATQFHYQIPH-NSCUHMNNSA-N
Mol Weight 183.23 g/mol
Molecular Formula C7H9N3OS
Exact Mass 183.046633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K8MXzoBDWBO
Name 1,2,4-Triazin-3(2H)-one, 5-(2-butenylthio)-
CAS Registry Number 105173-96-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9N3OS
InChI InChI=1S/C7H9N3OS/c1-2-3-4-12-6-5-8-10-7(11)9-6/h2-3,5H,4H2,1H3,(H,9,10,11)/b3-2+
InChIKey YBALATQFHYQIPH-NSCUHMNNSA-N
Molecular Weight 183.229 g/mol
SMILES N1N=CC(=NC1=O)SC\C=C\C
SPLASH splash10-066r-5900000000-0acb4e2fcdb3b050eaec
Source of Spectrum F-41-5291-5
Synonyms 5-trans-crotylthio-1,2,4-triazin-3(2H)-one 5-[(2E)-2-butenylsulfanyl]-1,2,4-triazin-3(2H)-one
Wiley ID 1179498