| SpectraBase Spectrum ID |
GIiArvxvY79 |
| Name |
Diethyl 5-bromobiphenyl-2,4'-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.031022023 u |
| Formula |
C18H17BrO4 |
| InChI |
InChI=1S/C18H17BrO4/c1-3-22-17(20)13-7-5-12(6-8-13)16-11-14(19)9-10-15(16)18(21)23-4-2/h5-11H,3-4H2,1-2H3 |
| InChIKey |
LVRZZVBCOPQHLF-UHFFFAOYSA-N |
| Molecular Weight |
377.234 g/mol |
| SMILES |
C=1(C(C(=O)OCC)=CC=C(C1)Br)C=1C=CC(C(=O)OCC)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949898 |
