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(1S,8R,8aR) 4-oxo-8-phenyl-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate
SpectraBase Compound ID CLxxCRT7nD2
InChI InChI=1S/C17H16O4/c1-11(18)21-17-16-13(12-6-3-2-4-7-12)8-5-9-14(16)15(19)10-20-17/h2-9,13,16-17H,10H2,1H3/t13-,16+,17-/m0/s1
InChIKey DXDMCFYCZMCBNP-XKQJLSEDSA-N
Mol Weight 284.31 g/mol
Molecular Formula C17H16O4
Exact Mass 284.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7mOYgGUQpNC
Name (1S,8R,8aR) 4-oxo-8-phenyl-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate
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Formula C17H16O4
InChI InChI=1S/C17H16O4/c1-11(18)21-17-16-13(12-6-3-2-4-7-12)8-5-9-14(16)15(19)10-20-17/h2-9,13,16-17H,10H2,1H3/t13-,16+,17-/m0/s1
InChIKey DXDMCFYCZMCBNP-XKQJLSEDSA-N
Literature Reference DOI 10.1021/ol301602h
Molecular Weight 284.311 g/mol
SMILES C1=C[C@]([C@@]2(C(=C1)C(=O)CO[C@]2(OC(=O)C)[H])[H])(c1ccccc1)[H]
SPLASH splash10-01c0-1920000000-332c8fbe84d90328e2a5
Source of Spectrum A1-14-3740/SMS7-4i
Synonyms (1S,8R,8aR)-4-oxo-8-phenyl-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate
Wiley ID 1750437