| SpectraBase Spectrum ID |
LKrxSQShRBE |
| Name |
Isodiospyrin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.079038165 u |
| Formula |
C22H14O6 |
| InChI |
InChI=1S/C22H14O6/c1-9-7-11-12(23)3-4-13(24)19(11)22(28)18(9)17-10(2)8-16(27)20-14(25)5-6-15(26)21(17)20/h3-8,27-28H,1-2H3 |
| InChIKey |
OEEOHKZVBKYMBA-UHFFFAOYSA-N |
| Molecular Weight |
374.348 g/mol |
| SMILES |
C1(=O)C=2C=C(C)C(=C(C2C(C=C1)=O)O)C1=C2C(=O)C=CC(=O)C2=C(O)C=C1C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895498 |
