| SpectraBase Compound ID | E2CfCPqZelX |
|---|---|
| InChI | InChI=1S/C10H13NO/c1-8-3-5-10(6-4-8)7-11-9(2)12/h3-6H,7H2,1-2H3,(H,11,12) |
| InChIKey | VSKJCTSEACBXRC-UHFFFAOYSA-N |
| Mol Weight | 163.22 g/mol |
| Molecular Formula | C10H13NO |
| Exact Mass | 163.099714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1I36yyKGeHL |
|---|---|
| Name | 4-Methylbenzylamine ac |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.099714042 u |
| Formula | C10H13NO |
| InChI | InChI=1S/C10H13NO/c1-8-3-5-10(6-4-8)7-11-9(2)12/h3-6H,7H2,1-2H3,(H,11,12) |
| InChIKey | VSKJCTSEACBXRC-UHFFFAOYSA-N |
| Molecular Weight | 163.220 g/mol |
| SMILES | C1(CNC(=O)C)=CC=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.885054 |