| SpectraBase Compound ID | LNe0BKnbO1D |
|---|---|
| InChI | InChI=1S/C10H13N/c1-3-7-11-10-6-4-5-9(2)8-10/h3-6,8,11H,1,7H2,2H3 |
| InChIKey | NEXYYNRCYGKBOE-UHFFFAOYSA-N |
| Mol Weight | 147.22 g/mol |
| Molecular Formula | C10H13N |
| Exact Mass | 147.104799 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2Wd5agFodOJ |
|---|---|
| Name | 3-Methyl-N-(prop-2-en-1-yl)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 147.104799423 u |
| Formula | C10H13N |
| InChI | InChI=1S/C10H13N/c1-3-7-11-10-6-4-5-9(2)8-10/h3-6,8,11H,1,7H2,2H3 |
| InChIKey | NEXYYNRCYGKBOE-UHFFFAOYSA-N |
| Molecular Weight | 147.221 g/mol |
| SMILES | C=1(NCC=C)C=C(C=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926742 |