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(1S)-1-Benzyl-1,3-dihydroisobenzothiophene
SpectraBase Compound ID 1Ruly9yYQcM
InChI InChI=1S/C15H14S/c1-2-6-12(7-3-1)10-15-14-9-5-4-8-13(14)11-16-15/h1-9,15H,10-11H2/t15-/m0/s1
InChIKey MDZZRAMBVXAITJ-HNNXBMFYSA-N
Mol Weight 226.34 g/mol
Molecular Formula C15H14S
Exact Mass 226.081622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNiHVP9SLj1
Name (1S)-1-Benzyl-1,3-dihydroisobenzothiophene
Comments Less than 3 mono-isotopic peaks
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Formula C15H14S
InChI InChI=1S/C15H14S/c1-2-6-12(7-3-1)10-15-14-9-5-4-8-13(14)11-16-15/h1-9,15H,10-11H2/t15-/m0/s1
InChIKey MDZZRAMBVXAITJ-HNNXBMFYSA-N
Molecular Weight 226.337 g/mol
SMILES [C@@]1(SCc2ccccc12)(Cc1ccccc1)[H]
SPLASH splash10-000i-0900000000-28897e166190c4bf6aed
Source of Spectrum KC-0-3188-41
Synonyms (1S)-1-benzyl-1,3-dihydro-2-benzothiophene
Wiley ID 829276