| SpectraBase Spectrum ID |
KrtYiY6ol84 |
| Name |
2-Bromo-2-phenyl-3-hydroxyindan-1-one-3-carboxilic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.984071830 u |
| Formula |
C16H11BrO4 |
| InChI |
InChI=1S/C16H11BrO4/c17-15(10-6-2-1-3-7-10)13(18)11-8-4-5-9-12(11)16(15,21)14(19)20/h1-9,21H,(H,19,20) |
| InChIKey |
ZBXXCUNRHDBDBP-UHFFFAOYSA-N |
| Molecular Weight |
347.164 g/mol |
| SMILES |
C12=C(C=CC=C2)C(=O)C(C1(O)C(=O)O)(C1=CC=CC=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874507 |
