SpectraBase Compound ID | 2ddsadFb7Tf |
---|---|
InChI | InChI=1S/C8H8BrNO2/c1-5(11)10-6-2-3-8(12)7(9)4-6/h2-4,12H,1H3,(H,10,11) |
InChIKey | YZUMPSIXWJTNQM-UHFFFAOYSA-N |
Mol Weight | 230.06 g/mol |
Molecular Formula | C8H8BrNO2 |
Exact Mass | 228.973841 g/mol |
SpectraBase Spectrum ID | 9TxV3wV7pAW |
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Name | N-(3-Bromo-4-hydroxyphenyl)acetamide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 228.973841500 u |
Formula | C8H8BrNO2 |
InChI | InChI=1S/C8H8BrNO2/c1-5(11)10-6-2-3-8(12)7(9)4-6/h2-4,12H,1H3,(H,10,11) |
InChIKey | YZUMPSIXWJTNQM-UHFFFAOYSA-N |
Molecular Weight | 230.061 g/mol |
SMILES | C=1(C=C(NC(C)=O)C=CC1O)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9629 |