| SpectraBase Spectrum ID |
FD1q3OC8ym9 |
| Name |
Bromomethylbenzene, 2-T-butyl-4-[(3,5-dimethyl)phenacetyl]- |
| 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/c1-14-8-15(2)10-16(9-14)11-20(23)17-6-7-18(13-22)19(12-17)21(3,4)5/h6-10,12H,11,13H2,1-5H3 |
| InChIKey |
AMHRLSXNWTUVGM-UHFFFAOYSA-N |
| Molecular Weight |
373.334 g/mol |
| SMILES |
C1=C(C=C(C=C1C)C)CC(=O)C=1C=C(C(=CC1)CBr)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849084 |
![Bromomethylbenzene, 2-T-butyl-4-[(3,5-dimethyl)phenacetyl]-](/api/spectrum/FD1q3OC8ym9/structure.png?h=300&w=458 "Bromomethylbenzene, 2-T-butyl-4-[(3,5-dimethyl)phenacetyl]-")
