SpectraBase Compound ID | JjHRRHXRwJO |
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InChI | InChI=1S/C10H11BrClNO/c1-7(13-10(14)6-12)8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H,13,14) |
InChIKey | QOVVMRZOAXDWMK-UHFFFAOYSA-N |
Mol Weight | 276.56 g/mol |
Molecular Formula | C10H11BrClNO |
Exact Mass | 274.971255 g/mol |
SpectraBase Spectrum ID | HNKg6GS81mf |
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Name | Acetamide, N-[1-(4-bromophenyl)ethyl]-2-chloro- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 274.971254677 u |
Formula | C10H11BrClNO |
InChI | InChI=1S/C10H11BrClNO/c1-7(13-10(14)6-12)8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H,13,14) |
InChIKey | QOVVMRZOAXDWMK-UHFFFAOYSA-N |
SMILES | CC(NC(=O)CCl)C1=CC=C(C=C1)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941905 |