| SpectraBase Spectrum ID |
86Pa91iyyvC |
| Name |
Cudraxanthone-Q |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.146723803 u |
| Formula |
C23H22O5 |
| InChI |
InChI=1S/C23H22O5/c1-12(2)5-7-15-21-14(9-10-23(3,4)28-21)19(25)18-20(26)16-11-13(24)6-8-17(16)27-22(15)18/h5-6,8-11,24-25H,7H2,1-4H3 |
| InChIKey |
BFPCRQCNDMJVOT-UHFFFAOYSA-N |
| Molecular Weight |
378.424 g/mol |
| SMILES |
C=12OC(C=CC1C(=C1C(=C2CC=C(C)C)OC2=CC=C(C=C2C1=O)O)O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9472 |
