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(S)-3-(thiophen-2-ylmethyl)isobenzofuran-1(3H)-one
SpectraBase Compound ID C3rNL5R9TGq
InChI InChI=1S/C13H10O2S/c14-13-11-6-2-1-5-10(11)12(15-13)8-9-4-3-7-16-9/h1-7,12H,8H2/t12-/m0/s1
InChIKey LMIIZRAPIKNNGD-LBPRGKRZSA-N
Mol Weight 230.28 g/mol
Molecular Formula C13H10O2S
Exact Mass 230.040151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZAAHoY7Bu4
Name (S)-3-(thiophen-2-ylmethyl)isobenzofuran-1(3H)-one
Alternate Name(s) (3S)-3-(thiophen-2-ylmethyl)-3H-isobenzofuran-1-one (3S)-3-(2-thienylmethyl)-3H-isobenzofuran-1-one (3S)-3-(thiophen-2-ylmethyl)-3H-2-benzofuran-1-one
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Formula C13H10O2S
InChI InChI=1S/C13H10O2S/c14-13-11-6-2-1-5-10(11)12(15-13)8-9-4-3-7-16-9/h1-7,12H,8H2/t12-/m0/s1
InChIKey LMIIZRAPIKNNGD-LBPRGKRZSA-N
Literature Reference DOI 10.1021/ol901674k
Molecular Weight 230.281 g/mol
SMILES c1cc2C(O[C@](c2cc1)(Cc1cccs1)[H])=O
SPLASH splash10-001l-7910000000-4d826275851aab6ad817
Source of Spectrum A1-11-4712/SM22-2m
Wiley ID 1757434