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 |