SpectraBase Compound ID | GqRLpFkRBPl |
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InChI | InChI=1S/C11H14BrNO/c1-7(2)9-4-5-11(10(12)6-9)13-8(3)14/h4-7H,1-3H3,(H,13,14) |
InChIKey | UIBZDELTWFHAPK-UHFFFAOYSA-N |
Mol Weight | 256.14 g/mol |
Molecular Formula | C11H14BrNO |
Exact Mass | 255.025877 g/mol |
SpectraBase Spectrum ID | CuqLGHuaapE |
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Name | Acetamide, N-[2-bromo-4-(1-methylethyl)phenyl]- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 255.025877074 u |
Formula | C11H14BrNO |
InChI | InChI=1S/C11H14BrNO/c1-7(2)9-4-5-11(10(12)6-9)13-8(3)14/h4-7H,1-3H3,(H,13,14) |
InChIKey | UIBZDELTWFHAPK-UHFFFAOYSA-N |
SMILES | CC(C1=CC(=C(NC(=O)C)C=C1)Br)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.807049 |