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(3R,4R)-3-Acetyl-4-hydroxy-6-methylisochroman-1-one
SpectraBase Compound ID 63ShENRfJCT
InChI InChI=1S/C12H12O4/c1-6-3-4-8-9(5-6)10(14)11(7(2)13)16-12(8)15/h3-5,10-11,14H,1-2H3/t10-,11+/m1/s1
InChIKey KYAHIAYTOIOUMF-MNOVXSKESA-N
Mol Weight 220.22 g/mol
Molecular Formula C12H12O4
Exact Mass 220.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ij8O8YKSkEy
Name (3R,4R)-3-Acetyl-4-hydroxy-6-methylisochroman-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O4
InChI InChI=1S/C12H12O4/c1-6-3-4-8-9(5-6)10(14)11(7(2)13)16-12(8)15/h3-5,10-11,14H,1-2H3/t10-,11+/m1/s1
InChIKey KYAHIAYTOIOUMF-MNOVXSKESA-N
Molecular Weight 220.224 g/mol
SMILES O[C@@]1(c2cc(C)ccc2C(O[C@]1(C(=O)C)[H])=O)[H]
SPLASH splash10-00mk-4900000000-a8781d7d0b6e0298a125
Source of Spectrum F4-45-1711-8d
Wiley ID 1737052