| SpectraBase Compound ID | 2zuCldCeQCV |
|---|---|
| InChI | InChI=1S/C12H17N/c1-3-7-11(2)10-13-12-8-5-4-6-9-12/h3-6,8-9,11,13H,1,7,10H2,2H3 |
| InChIKey | HEJJDSGMIOOECY-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 | 13yctAD9wur |
|---|---|
| Name | N-(2-Methyl-4-pentenyl)benzenamine |
| 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/c1-3-7-11(2)10-13-12-8-5-4-6-9-12/h3-6,8-9,11,13H,1,7,10H2,2H3 |
| InChIKey | HEJJDSGMIOOECY-UHFFFAOYSA-N |
| Molecular Weight | 175.275 g/mol |
| SMILES | C=1(NCC(CC=C)C)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961497 |