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(3S,3aR,6aS)-3-methyl-3-(2-pyridinylthio)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one
SpectraBase Compound ID BSb3oJ2F39p
InChI InChI=1S/C13H15NO2S/c1-13(17-11-7-2-3-8-14-11)9-5-4-6-10(9)16-12(13)15/h2-3,7-10H,4-6H2,1H3/t9-,10+,13+/m1/s1
InChIKey PABSRIBYMMDMMR-NRUUGDAUSA-N
Mol Weight 249.33 g/mol
Molecular Formula C13H15NO2S
Exact Mass 249.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4oYd1UNW8IO
Name (3S,3aR,6aS)-3-methyl-3-(2-pyridinylthio)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO2S
InChI InChI=1S/C13H15NO2S/c1-13(17-11-7-2-3-8-14-11)9-5-4-6-10(9)16-12(13)15/h2-3,7-10H,4-6H2,1H3/t9-,10+,13+/m1/s1
InChIKey PABSRIBYMMDMMR-NRUUGDAUSA-N
Molecular Weight 249.328 g/mol
SMILES [C@@]1(C(O[C@@]2([C@]1(CCC2)[H])[H])=O)(Sc1ncccc1)C
SPLASH splash10-03di-2900000000-f366b7d62a66e0b8297e
Source of Spectrum D1-2003-1487-12
Synonyms (3S,3aR,6aS)-3-methyl-3-(2-pyridylsulfanyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one (3S,3aR,6aS)-3-methyl-3-(2-pyridylthio)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one (3S,3aR,6aS)-3-methyl-3-pyridin-2-ylsulfanyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one
Wiley ID 1548353