| SpectraBase Spectrum ID |
6ivHUZaqnV0 |
| Name |
4-(3-Bromobenzylidene)-2,6-di-tert-butylcyclohexa-2,5-dien-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.108878424 u |
| Formula |
C21H25BrO |
| InChI |
InChI=1S/C21H25BrO/c1-20(2,3)17-12-15(10-14-8-7-9-16(22)11-14)13-18(19(17)23)21(4,5)6/h7-13H,1-6H3 |
| InChIKey |
KLWTVMSRSYMLKS-UHFFFAOYSA-N |
| Molecular Weight |
373.334 g/mol |
| SMILES |
C1(=CC=CC(C=C2C=C(C(C(=C2)C(C)(C)C)=O)C(C)(C)C)=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819299 |
