SpectraBase Compound ID | 5kk2QwlbLKy |
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InChI | InChI=1S/C10H12BrNO/c1-3-12(2)10(13)8-4-6-9(11)7-5-8/h4-7H,3H2,1-2H3 |
InChIKey | SVPOAFUQJSDMQW-UHFFFAOYSA-N |
Mol Weight | 242.12 g/mol |
Molecular Formula | C10H12BrNO |
Exact Mass | 241.010227 g/mol |
SpectraBase Spectrum ID | 5kBtB8HYWSA |
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Name | Benzamide, 4-bromo-N-ethyl-N-methyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 241.010227009 u |
Formula | C10H12BrNO |
InChI | InChI=1S/C10H12BrNO/c1-3-12(2)10(13)8-4-6-9(11)7-5-8/h4-7H,3H2,1-2H3 |
InChIKey | SVPOAFUQJSDMQW-UHFFFAOYSA-N |
Molecular Weight | 242.116 g/mol |
SMILES | C1(=CC=C(C=C1)C(N(CC)C)=O)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.897901 |