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(1S,8R,8aR) 8-(4-fluorophenyl)-4-oxo-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate
SpectraBase Compound ID UrlTRozdRk
InChI InChI=1S/C17H15FO4/c1-10(19)22-17-16-13(11-5-7-12(18)8-6-11)3-2-4-14(16)15(20)9-21-17/h2-8,13,16-17H,9H2,1H3/t13-,16+,17-/m0/s1
InChIKey RRGDMZDBSVBMQB-XKQJLSEDSA-N
Mol Weight 302.3 g/mol
Molecular Formula C17H15FO4
Exact Mass 302.095437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXkyDLyaoSi
Name (1S,8R,8aR) 8-(4-fluorophenyl)-4-oxo-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate
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Formula C17H15FO4
InChI InChI=1S/C17H15FO4/c1-10(19)22-17-16-13(11-5-7-12(18)8-6-11)3-2-4-14(16)15(20)9-21-17/h2-8,13,16-17H,9H2,1H3/t13-,16+,17-/m0/s1
InChIKey RRGDMZDBSVBMQB-XKQJLSEDSA-N
Molecular Weight 302.301 g/mol
SMILES C1=C[C@]([C@@]2([H])[C@](OC(=O)C)(OCC(=O)C2=C1)[H])(c1ccc(cc1)F)[H]
SPLASH splash10-001l-1930000000-31d7cb023a6f0a152e8b
Source of Spectrum A1-14-3740/SMS8-4l
Synonyms (1S,8R,8aR)-8-(4-fluorophenyl)-4-oxo-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate Acetic acid [(1S,8R,8aR)-8-(4-fluorophenyl)-4-oxo-8,8a-dihydro-1H-2-benzopyran-1-yl] ester [(1S,8R,8aR)-8-(4-fluorophenyl)-4-oxo-8,8a-dihydro-1H-isochromen-1-yl] acetate [(1S,8R,8aR)-8-(4-fluorophenyl)-4-oxidanylidene-8,8a-dihydro-1H-isochromen-1-yl] ethanoate
Wiley ID 1750438