| SpectraBase Compound ID | EsHUXnGDHmr |
|---|---|
| InChI | InChI=1S/C13H21NO/c1-10-8-11(2)13(12(3)9-10)14-6-4-5-7-15/h8-9,14-15H,4-7H2,1-3H3 |
| InChIKey | RTLFIWVQIXHQBS-UHFFFAOYSA-N |
| Mol Weight | 207.32 g/mol |
| Molecular Formula | C13H21NO |
| Exact Mass | 207.162314 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 303U2DcgQo4 |
|---|---|
| Name | 4-(Mesitylamino)butan-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.162314299 u |
| Formula | C13H21NO |
| InChI | InChI=1S/C13H21NO/c1-10-8-11(2)13(12(3)9-10)14-6-4-5-7-15/h8-9,14-15H,4-7H2,1-3H3 |
| InChIKey | RTLFIWVQIXHQBS-UHFFFAOYSA-N |
| Molecular Weight | 207.317 g/mol |
| SMILES | C=1C(=C(C(=CC1C)C)NCCCCO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938851 |