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(1S,8R,8aR) 8-butyl-4-oxo-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate
SpectraBase Compound ID CJpFy9SzspR
InChI InChI=1S/C15H20O4/c1-3-4-6-11-7-5-8-12-13(17)9-18-15(14(11)12)19-10(2)16/h5,7-8,11,14-15H,3-4,6,9H2,1-2H3/t11-,14-,15+/m1/s1
InChIKey DSJWNMFYSREFKL-DFBGVHRSSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUa4aY32KJ1
Name (1S,8R,8aR) 8-butyl-4-oxo-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate
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Formula C15H20O4
InChI InChI=1S/C15H20O4/c1-3-4-6-11-7-5-8-12-13(17)9-18-15(14(11)12)19-10(2)16/h5,7-8,11,14-15H,3-4,6,9H2,1-2H3/t11-,14-,15+/m1/s1
InChIKey DSJWNMFYSREFKL-DFBGVHRSSA-N
Molecular Weight 264.321 g/mol
SMILES C1=C[C@]([C@@]2(C(=C1)C(CO[C@]2(OC(=O)C)[H])=O)[H])(CCCC)[H]
SPLASH splash10-0002-2900000000-2d11214c38d0132022e4
Source of Spectrum A1-14-3740/SMS4-4d
Synonyms (1S,8R,8aR)-8-butyl-4-oxo-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate
Wiley ID 1750432