SpectraBase Spectrum ID |
ErI4Gzn3BdG |
Name |
(2-Bromocyclohex-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 |
294.025542721 u |
Formula |
C14H15BrO2 |
InChI |
InChI=1S/C14H15BrO2/c1-17-11-8-6-10(7-9-11)14(16)12-4-2-3-5-13(12)15/h6-9H,2-5H2,1H3 |
InChIKey |
LZBVXRZKEHIKFO-UHFFFAOYSA-N |
Molecular Weight |
295.176 g/mol |
SMILES |
C1(=CC=C(C(C=2CCCCC2Br)=O)C=C1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940408 |