SpectraBase Compound ID | 9xyYgzObSPD |
---|---|
InChI | InChI=1S/C15H13BrO/c1-11(12-5-3-2-4-6-12)15(17)13-7-9-14(16)10-8-13/h2-11H,1H3 |
InChIKey | RKTXKLCJLQNOCA-UHFFFAOYSA-N |
Mol Weight | 289.17 g/mol |
Molecular Formula | C15H13BrO |
Exact Mass | 288.014978 g/mol |
SpectraBase Spectrum ID | C68MuFl3Vj6 |
---|---|
Name | 1-(4-Bromophenyl)-2-phenylpropan-1-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 288.014978038 u |
Formula | C15H13BrO |
InChI | InChI=1S/C15H13BrO/c1-11(12-5-3-2-4-6-12)15(17)13-7-9-14(16)10-8-13/h2-11H,1H3 |
InChIKey | RKTXKLCJLQNOCA-UHFFFAOYSA-N |
SMILES | C=1C=C(C=CC1Br)C(C(C1=CC=CC=C1)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877539 |