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(1S)-1-Allyl-1,3-dihydroisobenzothiophene
SpectraBase Compound ID 72uIfR76s2m
InChI InChI=1S/C11H12S/c1-2-5-11-10-7-4-3-6-9(10)8-12-11/h2-4,6-7,11H,1,5,8H2/t11-/m0/s1
InChIKey CBLAXVZSILIYRQ-NSHDSACASA-N
Mol Weight 176.28 g/mol
Molecular Formula C11H12S
Exact Mass 176.065972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FKvIU8jVlsc
Name (1S)-1-Allyl-1,3-dihydroisobenzothiophene
Alternate Name(s) (1S)-1-allyl-1,3-dihydro-2-benzothiophene (1S)-1-prop-2-enyl-1,3-dihydro-2-benzothiophene
Comments Less than 3 mono-isotopic peaks
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Formula C11H12S
InChI InChI=1S/C11H12S/c1-2-5-11-10-7-4-3-6-9(10)8-12-11/h2-4,6-7,11H,1,5,8H2/t11-/m0/s1
InChIKey CBLAXVZSILIYRQ-NSHDSACASA-N
Molecular Weight 176.277 g/mol
SMILES [C@@]1(SCc2ccccc12)(CC=C)[H]
SPLASH splash10-000i-0900000000-b267e758f10c24f5662f
Source of Spectrum KC-0-3188-42
Wiley ID 829275