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(1S)-1-Ethyl-1,3-dihydroisobenzothiophene
SpectraBase Compound ID F0eHtT6VQeg
InChI InChI=1S/C10H12S/c1-2-10-9-6-4-3-5-8(9)7-11-10/h3-6,10H,2,7H2,1H3/t10-/m0/s1
InChIKey XOPSBRNCQDWGPN-JTQLQIEISA-N
Mol Weight 164.27 g/mol
Molecular Formula C10H12S
Exact Mass 164.065972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3IwASmtaMh
Name (1S)-1-Ethyl-1,3-dihydroisobenzothiophene
Alternate Name(s) (1S)-1-ethyl-1,3-dihydro-2-benzothiophene
Comments Less than 3 mono-isotopic peaks
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Formula C10H12S
InChI InChI=1S/C10H12S/c1-2-10-9-6-4-3-5-8(9)7-11-10/h3-6,10H,2,7H2,1H3/t10-/m0/s1
InChIKey XOPSBRNCQDWGPN-JTQLQIEISA-N
Molecular Weight 164.266 g/mol
SMILES [C@@]1(SCc2ccccc12)(CC)[H]
SPLASH splash10-000i-0900000000-4ccd4e54fc77fa67970f
Source of Spectrum KC-0-3188-40
Wiley ID 829277