| SpectraBase Spectrum ID |
LfNgdJxxew |
| Name |
1,2-Benzenediol, o-(3-bromobenzoyl)-o'-methoxyacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
363.994636514 u |
| Formula |
C16H13BrO5 |
| InChI |
InChI=1S/C16H13BrO5/c1-20-10-15(18)21-13-7-2-3-8-14(13)22-16(19)11-5-4-6-12(17)9-11/h2-9H,10H2,1H3 |
| InChIKey |
ACLIGVIEZSKDHQ-UHFFFAOYSA-N |
| Molecular Weight |
365.179 g/mol |
| SMILES |
C1(=CC=CC=C1OC(=O)COC)OC(=O)C=1C=C(C=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915792 |
