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3-(2'-Furylmethylthio)-2-pyrazinyl-2-methyl-1-propanone
SpectraBase Compound ID I14NjnASGA2
InChI InChI=1S/C13H14N2O2S/c1-9(2)12(16)11-13(15-6-5-14-11)18-8-10-4-3-7-17-10/h3-7,9H,8H2,1-2H3
InChIKey HGGCQDGPJULDLR-UHFFFAOYSA-N
Mol Weight 262.33 g/mol
Molecular Formula C13H14N2O2S
Exact Mass 262.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1v0JZ4Z48lK
Name 3-(2'-Furylmethylthio)-2-pyrazinyl-2-methyl-1-propanone
CAS Registry Number 118043-62-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O2S
InChI InChI=1S/C13H14N2O2S/c1-9(2)12(16)11-13(15-6-5-14-11)18-8-10-4-3-7-17-10/h3-7,9H,8H2,1-2H3
InChIKey HGGCQDGPJULDLR-UHFFFAOYSA-N
Molecular Weight 262.327 g/mol
SMILES CC(C)C(c1c(nccn1)SCc1ccco1)=O
SPLASH splash10-001i-9110000000-db9b93cce8c8d7ce142f
Source of Spectrum PR-123-0-0
Synonyms 1-[3-(2-furanylmethylthio)-2-pyrazinyl]-2-methyl-1-propanone 1-[3-(2-furfurylthio)pyrazin-2-yl]-2-methyl-propan-1-one 1-[3-(2-furylmethylsulfanyl)pyrazin-2-yl]-2-methyl-propan-1-one 1-[3-(furan-2-ylmethylsulfanyl)pyrazin-2-yl]-2-methyl-propan-1-one
Wiley ID 1265569