| SpectraBase Spectrum ID |
AiD89dCTutF |
| Name |
cis-Praecansone-A |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.162373868 u |
| Formula |
C23H24O5 |
| InChI |
InChI=1S/C23H24O5/c1-23(2)12-11-16-18(28-23)14-20(26-4)21(22(16)27-5)19(25-3)13-17(24)15-9-7-6-8-10-15/h6-14H,1-5H3/b19-13- |
| InChIKey |
CDFJITYOZNLONM-UYRXBGFRSA-N |
| Molecular Weight |
380.440 g/mol |
| SMILES |
C(=O)(C1=CC=CC=C1)\C=C\(C1=C(C=C2C(=C1OC)C=CC(O2)(C)C)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972031 |
