| SpectraBase Compound ID | EJ2ESCV0RW3 |
|---|---|
| InChI | InChI=1S/C12H17N/c1-4-5-9-13-12-10(2)7-6-8-11(12)3/h4-8,13H,9H2,1-3H3/b5-4+ |
| InChIKey | GWISHCKXDHJQEQ-SNAWJCMRSA-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 | HYPtugUkOgV |
|---|---|
| Name | Benzenamine, N-2-butenyl-2,6-dimethyl- |
| 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/c1-4-5-9-13-12-10(2)7-6-8-11(12)3/h4-8,13H,9H2,1-3H3/b5-4+ |
| InChIKey | GWISHCKXDHJQEQ-SNAWJCMRSA-N |
| Molecular Weight | 175.275 g/mol |
| SMILES | C=1(C(=CC=CC1C)C)NC\C=C\C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953737 |