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(1S,8R,8aR) 8-methyl-4-oxo-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate
SpectraBase Compound ID EF4Tt0sJRyv
InChI InChI=1S/C12H14O4/c1-7-4-3-5-9-10(14)6-15-12(11(7)9)16-8(2)13/h3-5,7,11-12H,6H2,1-2H3/t7-,11-,12+/m1/s1
InChIKey UUABNTLBUPRTKU-HFKOZYHYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPSq0bdBJ51
Name (1S,8R,8aR) 8-methyl-4-oxo-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-7-4-3-5-9-10(14)6-15-12(11(7)9)16-8(2)13/h3-5,7,11-12H,6H2,1-2H3/t7-,11-,12+/m1/s1
InChIKey UUABNTLBUPRTKU-HFKOZYHYSA-N
Literature Reference DOI 10.1021/ol301602h
Molecular Weight 222.240 g/mol
SMILES C1=C[C@]([C@]2([C@@](OCC(C2=C1)=O)(OC(=O)C)[H])[H])(C)[H]
SPLASH splash10-06r5-3900000000-9b112c67a41c6822be85
Source of Spectrum A1-14-3740/SMS3-4a
Synonyms (1S,8R,8aR)-8-methyl-4-oxo-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate
Wiley ID 1750429