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(1S,8aR) 4-oxo-7-methyl-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate
SpectraBase Compound ID E7wGZG70wWh
InChI InChI=1S/C12H14O4/c1-7-3-4-9-10(5-7)12(16-8(2)13)15-6-11(9)14/h3-4,10,12H,5-6H2,1-2H3/t10-,12+/m1/s1
InChIKey QQPMOAGMXMIXMO-PWSUYJOCSA-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 Gx3qi6LI5pg
Name (1S,8aR) 4-oxo-7-methyl-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate
Alternate Name(s) (1S,8aR)-7-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/c1-7-3-4-9-10(5-7)12(16-8(2)13)15-6-11(9)14/h3-4,10,12H,5-6H2,1-2H3/t10-,12+/m1/s1
InChIKey QQPMOAGMXMIXMO-PWSUYJOCSA-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
SPLASH splash10-0903-4900000000-71a756da2f5e8e1b23cd
Source of Spectrum A1-14-3740/SMS10-4p
Wiley ID 1750439