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(S)-3-(4-chlorobenzyl)isobenzofuran-1(3H)-one
SpectraBase Compound ID I6ZcGJsXBaj
InChI InChI=1S/C15H11ClO2/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(17)18-14/h1-8,14H,9H2/t14-/m0/s1
InChIKey YDICAZHOIHWZFV-AWEZNQCLSA-N
Mol Weight 258.7 g/mol
Molecular Formula C15H11ClO2
Exact Mass 258.044757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Hr33tXbtIx
Name (S)-3-(4-chlorobenzyl)isobenzofuran-1(3H)-one
Alternate Name(s) (3S)-3-[(4-chlorophenyl)methyl]-3H-isobenzofuran-1-one (3S)-3-[(4-chlorophenyl)methyl]-3H-2-benzofuran-1-one
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Formula C15H11ClO2
InChI InChI=1S/C15H11ClO2/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(17)18-14/h1-8,14H,9H2/t14-/m0/s1
InChIKey YDICAZHOIHWZFV-AWEZNQCLSA-N
Literature Reference DOI 10.1021/ol901674k
Molecular Weight 258.704 g/mol
SMILES c1cc2C(O[C@@](Cc3ccc(cc3)Cl)(c2cc1)[H])=O
SPLASH splash10-001i-1900000000-c9d18afeb761a2b5ed5e
Source of Spectrum A1-11-4712/SM15-2f
Wiley ID 1757427