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(3R,4R)-3-Acetyl-4-hydroxy-4-methylisochroman-1-one
SpectraBase Compound ID H08lBnOYj0z
InChI InChI=1S/C12H12O4/c1-7(13)10-12(2,15)9-6-4-3-5-8(9)11(14)16-10/h3-6,10,15H,1-2H3/t10-,12+/m0/s1
InChIKey MIBZSLXLHVCPKL-CMPLNLGQSA-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 KbEVXfsCBP
Name (3R,4R)-3-Acetyl-4-hydroxy-4-methylisochroman-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O4
InChI InChI=1S/C12H12O4/c1-7(13)10-12(2,15)9-6-4-3-5-8(9)11(14)16-10/h3-6,10,15H,1-2H3/t10-,12+/m0/s1
InChIKey MIBZSLXLHVCPKL-CMPLNLGQSA-N
Molecular Weight 220.224 g/mol
SMILES O[C@]1([C@@](OC(c2c1cccc2)=O)(C(=O)C)[H])C
SPLASH splash10-0a4k-1900000000-519b9b368f86bc42dd85
Source of Spectrum F4-45-1712-8f
Wiley ID 1737050