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2H-Pyran-2-one, tetrahydro-6-(2-pentenyl)-3-(2-pyridinylthio)-, [3.alpha.,6.alpha.(Z)]-(.+-.)-
SpectraBase Compound ID CIuNPau3ehp
InChI InChI=1S/C15H19NO2S/c1-2-3-4-7-12-9-10-13(15(17)18-12)19-14-8-5-6-11-16-14/h3-6,8,11-13H,2,7,9-10H2,1H3/b4-3-/t12-,13+/m0/s1
InChIKey HKTJWNGNYJXCRU-RSNNXLNZSA-N
Mol Weight 277.38 g/mol
Molecular Formula C15H19NO2S
Exact Mass 277.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwBMe3NW8IE
Name 2H-Pyran-2-one, tetrahydro-6-(2-pentenyl)-3-(2-pyridinylthio)-, [3.alpha.,6.alpha.(Z)]-(.+-.)-
CAS Registry Number 66971-97-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19NO2S
InChI InChI=1S/C15H19NO2S/c1-2-3-4-7-12-9-10-13(15(17)18-12)19-14-8-5-6-11-16-14/h3-6,8,11-13H,2,7,9-10H2,1H3/b4-3-/t12-,13+/m0/s1
InChIKey HKTJWNGNYJXCRU-RSNNXLNZSA-N
Molecular Weight 277.382 g/mol
SMILES C1(O[C@@](C\C=C/CC)(CC[C@]1(Sc1ncccc1)[H])[H])=O
SPLASH splash10-0597-9000000000-88770d8161e92db0342a
Source of Spectrum H-61-1003-0
Synonyms (3R,6R)-6-[(2Z)-2-pentenyl]-3-(2-pyridinylsulfanyl)tetrahydro-2H-pyran-2-one (Z)-6-(pent-2-enyl)-3-(pyridyl-2-thio)tetrahydropyran-2-one
Wiley ID 1280982