| SpectraBase Spectrum ID |
5K3R8tK6nj7 |
| Name |
Dimethyl 1-bromonaphthalene-2,6-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.984071830 u |
| Formula |
C14H11BrO4 |
| InChI |
InChI=1S/C14H11BrO4/c1-18-13(16)9-4-5-10-8(7-9)3-6-11(12(10)15)14(17)19-2/h3-7H,1-2H3 |
| InChIKey |
KOGWCRBEPFRMPA-UHFFFAOYSA-N |
| Molecular Weight |
323.142 g/mol |
| SMILES |
C=1(C(=CC=C2C=C(C=CC12)C(=O)OC)C(=O)OC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826408 |
