| SpectraBase Compound ID | BjxeXDO5M0K |
|---|---|
| InChI | InChI=1S/C13H17N/c1-11-7-8-13(14,9-11)10-12-5-3-2-4-6-12/h2-7H,8-10,14H2,1H3 |
| InChIKey | CTPFQCRYRGDDJK-UHFFFAOYSA-N |
| Mol Weight | 187.29 g/mol |
| Molecular Formula | C13H17N |
| Exact Mass | 187.1361 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G1JhcaP5ivg |
|---|---|
| Name | (1-Benzyl-3-methylcyclopent-3-enyl)amine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.136099551 u |
| Formula | C13H17N |
| InChI | InChI=1S/C13H17N/c1-11-7-8-13(14,9-11)10-12-5-3-2-4-6-12/h2-7H,8-10,14H2,1H3 |
| InChIKey | CTPFQCRYRGDDJK-UHFFFAOYSA-N |
| Molecular Weight | 187.286 g/mol |
| SMILES | C1(CC2=CC=CC=C2)(N)CC=C(C)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940932 |