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(3aS,7R,7aS)-7a-(hydroxymethyl)-7-phenyl-3,3a,4,5,6,7-hexahydro-2-benzofuran-1-one
SpectraBase Compound ID oGWAz3ClGZ
InChI InChI=1S/C15H18O3/c16-10-15-12(9-18-14(15)17)7-4-8-13(15)11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2/t12-,13-,15-/m1/s1
InChIKey NQXYLDSYVCZXJS-UMVBOHGHSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5iRMW56yRME
Name (3aS,7R,7aS)-7a-(hydroxymethyl)-7-phenyl-3,3a,4,5,6,7-hexahydro-2-benzofuran-1-one
Alternate Name(s) (3aS,7R,7aS)-7a-(hydroxymethyl)-7-phenyl-3,3a,4,5,6,7-hexahydroisobenzofuran-1-one (3aS,7R,7aS)-7a-methylol-7-phenyl-3,3a,4,5,6,7-hexahydroisobenzofuran-1-one
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Formula C15H18O3
InChI InChI=1S/C15H18O3/c16-10-15-12(9-18-14(15)17)7-4-8-13(15)11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2/t12-,13-,15-/m1/s1
InChIKey NQXYLDSYVCZXJS-UMVBOHGHSA-N
Molecular Weight 246.306 g/mol
SMILES OC[C@]12C(OC[C@]2(CCC[C@@]1(c1ccccc1)[H])[H])=O
SPLASH splash10-00kf-3940000000-00d22250e998513bec6c
Source of Spectrum KC-0-1677-28
Wiley ID 822715