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4,7-Epoxy-1H-inden-1-one, 3a,4,7,7a-tetrahydro-2-[(phenylthio)methyl]-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-
SpectraBase Compound ID DmdjZM1kYnI
InChI InChI=1S/C16H14O2S/c17-16-10(9-19-11-4-2-1-3-5-11)8-12-13-6-7-14(18-13)15(12)16/h1-8,12-15H,9H2/t12?,13-,14+,15?/m0/s1
InChIKey RCLZTBKSFLYWEZ-RAFNIBEQSA-N
Mol Weight 270.35 g/mol
Molecular Formula C16H14O2S
Exact Mass 270.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BuESoK44PZH
Name 4,7-Epoxy-1H-inden-1-one, 3a,4,7,7a-tetrahydro-2-[(phenylthio)methyl]-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-
CAS Registry Number 127587-99-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O2S
InChI InChI=1S/C16H14O2S/c17-16-10(9-19-11-4-2-1-3-5-11)8-12-13-6-7-14(18-13)15(12)16/h1-8,12-15H,9H2/t12?,13-,14+,15?/m0/s1
InChIKey RCLZTBKSFLYWEZ-RAFNIBEQSA-N
Molecular Weight 270.346 g/mol
SMILES c1ccc(cc1)SCC1=CC2[C@@]3(C=C[C@](C2C1=O)(O3)[H])[H]
SPLASH splash10-03di-3910000000-af112023083b4370af2b
Source of Spectrum F-45-7129-41
Synonyms 4-Phenylthiomethyl-exo-10-oxatricyclo(5,2,1,0, (2,6))deca-4,8-dien-3-one 4-Phenylthiomethyl-exo-10-oxatricyclo[5.2.1.0(2,6)]deca-4,8-dien-3-one 4-[(phenylsulfanyl)methyl]-10-oxatricyclo[5.2.1.0(2,6)]deca-4,8-dien-3-one
Wiley ID 1274283