SpectraBase Spectrum ID |
GZzWmzAwbxM |
Name |
3,5-Dibromo-2-hydroxy-N-(tetrahydro-2-furanylmethyl)benzamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
376.926219280 u |
Formula |
C12H13Br2NO3 |
InChI |
InChI=1S/C12H13Br2NO3/c13-7-4-9(11(16)10(14)5-7)12(17)15-6-8-2-1-3-18-8/h4-5,8,16H,1-3,6H2,(H,15,17) |
InChIKey |
INGVKLACODHWHI-UHFFFAOYSA-N |
Molecular Weight |
379.048 g/mol |
SMILES |
C1(Br)=C(C(=CC(=C1)Br)C(=O)NCC1OCCC1)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953016 |