| SpectraBase Spectrum ID |
LtHEbCLS7O8 |
| Name |
9-Benzoyl-3,11-dimethyldodeca-1,3-dien-8-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.208930140 u |
| Formula |
C21H28O2 |
| InChI |
InChI=1S/C21H28O2/c1-5-17(4)11-9-10-14-20(22)19(15-16(2)3)21(23)18-12-7-6-8-13-18/h5-8,11-13,16,19H,1,9-10,14-15H2,2-4H3/b17-11- |
| InChIKey |
QDNNFUOOWIMHME-BOPFTXTBSA-N |
| Molecular Weight |
312.453 g/mol |
| SMILES |
C(C(=O)C1=CC=CC=C1)(C(=O)CCC\C=C/(C=C)C)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962469 |
