| SpectraBase Spectrum ID |
ByQNe323sW3 |
| Name |
2-Bromo-4-sec-butylphenol, o-isopropyloxycarbonyl- |
| 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/c1-5-10(4)11-6-7-13(12(15)8-11)18-14(16)17-9(2)3/h6-10H,5H2,1-4H3 |
| InChIKey |
MODCPJOETXNARK-UHFFFAOYSA-N |
| Molecular Weight |
315.207 g/mol |
| SMILES |
C(CC)(C)C1=CC(Br)=C(C=C1)OC(OC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874335 |
