SpectraBase Compound ID | CdrX5chwPb2 |
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InChI | InChI=1S/C10H13NO2/c1-8(12)11-7-9-5-3-4-6-10(9)13-2/h3-6H,7H2,1-2H3,(H,11,12) |
InChIKey | UKDWIXWBWBKHRG-UHFFFAOYSA-N |
Mol Weight | 179.22 g/mol |
Molecular Formula | C10H13NO2 |
Exact Mass | 179.094629 g/mol |
SpectraBase Spectrum ID | 8fp37FiAYdq |
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Name | 2-Methoxybenzylamine, N-acetyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 179.094628661 u |
Formula | C10H13NO2 |
InChI | InChI=1S/C10H13NO2/c1-8(12)11-7-9-5-3-4-6-10(9)13-2/h3-6H,7H2,1-2H3,(H,11,12) |
InChIKey | UKDWIXWBWBKHRG-UHFFFAOYSA-N |
Molecular Weight | 179.219 g/mol |
SMILES | C1(=CC=CC=C1CNC(=O)C)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971035 |