| SpectraBase Spectrum ID |
CRcckSQLcPN |
| Name |
(2-Bromocyclohept-1-enyl)(4-methoxyphenyl)methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.041192785 u |
| Formula |
C15H17BrO2 |
| InChI |
InChI=1S/C15H17BrO2/c1-18-12-9-7-11(8-10-12)15(17)13-5-3-2-4-6-14(13)16/h7-10H,2-6H2,1H3 |
| InChIKey |
JBRPBYGRYBVVMM-UHFFFAOYSA-N |
| Molecular Weight |
309.203 g/mol |
| SMILES |
C1(=CC=C(C(C=2CCCCCC2Br)=O)C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934708 |
