| SpectraBase Spectrum ID |
GGoxNUduokE |
| Name |
Coccinenone-B |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.047738036 u |
| Formula |
C16H10O6 |
| InChI |
InChI=1S/C16H10O6/c17-7-5-9(18)13-11(6-7)21-15-12(14(13)19)8-3-1-2-4-10(8)22-16(15)20/h1-6,16-18,20H |
| InChIKey |
HMCJSHNAURZDNI-UHFFFAOYSA-N |
| Molecular Weight |
298.250 g/mol |
| SMILES |
C1=2OC=3C(C(C2C=2C(OC1O)=CC=CC2)=O)=C(C=C(C3)O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956672 |
