| SpectraBase Spectrum ID |
COuUzcXYEhW |
| Name |
2-Bromo-4-sec-butylphenol, o-(N-propyloxycarbonyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.051757469 u |
| Formula |
C14H19BrO3 |
| InChI |
InChI=1S/C14H19BrO3/c1-4-8-17-14(16)18-13-7-6-11(9-12(13)15)10(3)5-2/h6-7,9-10H,4-5,8H2,1-3H3 |
| InChIKey |
NYVRPWJPQVANRT-UHFFFAOYSA-N |
| Molecular Weight |
315.207 g/mol |
| SMILES |
C(CC)(C)C1=CC(Br)=C(C=C1)OC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949273 |
