| SpectraBase Spectrum ID |
5V95dxl8t5w |
| Name |
Nigrolineaisoflavone A |
| Appearance |
Pale yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H12O6 |
| InChI |
InChI=1S/C13H12O6/c14-6-3-9(16)11-10(4-6)19-5-7(12(11)17)13-8(15)1-2-18-13/h3-5,8,13-16H,1-2H2/t8-,13+/m0/s1 |
| InChIKey |
QDTZHTJSNHSYDA-ISVAXAHUSA-N |
| Instrument Name |
Kratos MS 25 RFA |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0303254 |
| Optical Rotation |
[a]D29 = -62.5 (c = 0.016) |
| Reported Formula |
C13H12O6 |
| SMILES |
Oc1cc(cc2c1C(C(=CO2)[C@@]1([C@](CCO1)(O)[H])[H])=O)O |
| SPLASH |
splash10-0a4i-0090000000-2c711c4df640350d6886 |
| Source of Spectrum |
G4-66-1535-12 |
| Wiley ID |
1883946 |
