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4,7-Epoxy-1H-inden-1-one, 3a,4,7,7a-tetrahydro-2-[[(phenylmethyl)thio]methyl]-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-
SpectraBase Compound ID 8ghPBJqcxSj
InChI InChI=1S/C17H16O2S/c18-17-12(10-20-9-11-4-2-1-3-5-11)8-13-14-6-7-15(19-14)16(13)17/h1-8,13-16H,9-10H2/t13-,14-,15+,16-/m0/s1
InChIKey PXNAQMOZDSXIOY-JONQDZQNSA-N
Mol Weight 284.37 g/mol
Molecular Formula C17H16O2S
Exact Mass 284.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9p7XMr5miev
Name 4,7-Epoxy-1H-inden-1-one, 3a,4,7,7a-tetrahydro-2-[[(phenylmethyl)thio]methyl]-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-
CAS Registry Number 127588-00-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O2S
InChI InChI=1S/C17H16O2S/c18-17-12(10-20-9-11-4-2-1-3-5-11)8-13-14-6-7-15(19-14)16(13)17/h1-8,13-16H,9-10H2/t13-,14-,15+,16-/m0/s1
InChIKey PXNAQMOZDSXIOY-JONQDZQNSA-N
Molecular Weight 284.373 g/mol
SMILES [C@]12([C@](C(=O)C(=C2)CSCc2ccccc2)([C@]2([H])O[C@]1(C=C2)[H])[H])[H]
SPLASH splash10-0006-9500000000-7f47fbe0043aa522bd3a
Source of Spectrum F-45-7130-42
Synonyms (1R,2S,6R,7S)-4-[(benzylsulfanyl)methyl]-10-oxatricyclo[5.2.1.0(2,6)]deca-4,8-dien-3-one 4-Benzylthiomethyl-exo-10-oxatricyclo(5,2,1,0(2,6))deca-4,8-dien-3-one 4-Benzylthiomethyl-exo-10-oxatricyclo[5.2.1.0(2,6)]deca-4,8-dien-3-one
Wiley ID 1288018