| SpectraBase Spectrum ID |
KcEKeCNCaii |
| Name |
Isoochracinic acid |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H8O5 |
| InChI |
InChI=1S/C10H8O5/c11-6-3-1-2-5-7(4-8(12)13)15-10(14)9(5)6/h1-3,7,11H,4H2,(H,12,13) |
| InChIKey |
JUVHLXCMFDJFQF-UHFFFAOYSA-N |
| Instrument Name |
Finnigan Voyager |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020097y |
| Molecular Weight |
208.169 g/mol |
| Optical Rotation |
[a]D22 = -5 (c = 0.7 mg/mL, MeOH) |
| SMILES |
OC(CC1OC(c2c1cccc2O)=O)=O |
| SPLASH |
splash10-03ka-0910000000-626ea442ba486a3d4087 |
| Source of Spectrum |
G4-65-882-9 |
| Wiley ID |
1883743 |
