| SpectraBase Compound ID | 2njsQt70F0b |
|---|---|
| InChI | InChI=1S/C12H17N/c1-2-4-11(5-3-1)8-9-13-10-12-6-7-12/h1-5,12-13H,6-10H2 |
| InChIKey | PJBAOQPVKJPENU-UHFFFAOYSA-N |
| Mol Weight | 175.27 g/mol |
| Molecular Formula | C12H17N |
| Exact Mass | 175.1361 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6zsixWd2tzC |
|---|---|
| Name | N-Cyclopropylmethylphenethylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.136099551 u |
| Formula | C12H17N |
| InChI | InChI=1S/C12H17N/c1-2-4-11(5-3-1)8-9-13-10-12-6-7-12/h1-5,12-13H,6-10H2 |
| InChIKey | PJBAOQPVKJPENU-UHFFFAOYSA-N |
| Molecular Weight | 175.275 g/mol |
| SMILES | C1(CNCCC=2C=CC=CC2)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972605 |