| SpectraBase Compound ID | AWKmFXXcYf1 |
|---|---|
| InChI | InChI=1S/C12H17NO/c1-2-12(14)13-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,13,14) |
| InChIKey | AMHHACRZBSECQT-UHFFFAOYSA-N |
| Mol Weight | 191.27 g/mol |
| Molecular Formula | C12H17NO |
| Exact Mass | 191.131014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7hiJ4CEoiHc |
|---|---|
| Name | 3-Phenylpropylamine prop |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.131014170 u |
| Formula | C12H17NO |
| InChI | InChI=1S/C12H17NO/c1-2-12(14)13-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H,13,14) |
| InChIKey | AMHHACRZBSECQT-UHFFFAOYSA-N |
| Molecular Weight | 191.274 g/mol |
| SMILES | C1(=CC=CC=C1)CCCNC(CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.818964 |