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3,5-Methano-2H-cyclopenta[b]furan-2-one, hexahydro-6-(phenylthio)-, (3.alpha.,3a.beta.,5.alpha.,6.beta.,6a.beta.)-
SpectraBase Compound ID FpyGhiGeTPT
InChI InChI=1S/C14H14O2S/c15-14-11-7-8-6-10(11)12(16-14)13(8)17-9-4-2-1-3-5-9/h1-5,8,10-13H,6-7H2/t8-,10+,11-,12-,13+/m0/s1
InChIKey BKQRLBIGHDNYAP-XZDSOIIUSA-N
Mol Weight 246.32 g/mol
Molecular Formula C14H14O2S
Exact Mass 246.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzodHL7vqBp
Name 3,5-Methano-2H-cyclopenta[b]furan-2-one, hexahydro-6-(phenylthio)-, (3.alpha.,3a.beta.,5.alpha.,6.beta.,6a.beta.)-
CAS Registry Number 71537-26-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O2S
InChI InChI=1S/C14H14O2S/c15-14-11-7-8-6-10(11)12(16-14)13(8)17-9-4-2-1-3-5-9/h1-5,8,10-13H,6-7H2/t8-,10+,11-,12-,13+/m0/s1
InChIKey BKQRLBIGHDNYAP-XZDSOIIUSA-N
Molecular Weight 246.324 g/mol
SMILES [C@@]12([C@]3([C@@]([H])(C(O2)=O)C[C@]([C@]1(Sc1ccccc1)[H])([H])C3)[H])[H]
SPLASH splash10-0002-0960000000-68ebee1947470b7ffde4
Source of Spectrum C-101-3891-0
Synonyms (1S,2R,3S,6S,7R)-2-(phenylsulfanyl)-4-oxatricyclo[4.2.1.0(3,7)]nonan-5-one 4-Phenylthio-6-oxatricyclo-nonan-7-one
Wiley ID 1248906