| SpectraBase Compound ID | LeWLM0P76PZ |
|---|---|
| InChI | InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3 |
| InChIKey | PUZORFQMRDHKBT-UHFFFAOYSA-N |
| Mol Weight | 191.27 g/mol |
| Molecular Formula | C12H17NO |
| Exact Mass | 191.131014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2m2OTIIsTE7 |
|---|---|
| Name | N,N-Diethyltoluamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.131014170 u |
| Formula | C12H17NO |
| InChI | InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3 |
| InChIKey | PUZORFQMRDHKBT-UHFFFAOYSA-N |
| Molecular Weight | 191.274 g/mol |
| SMILES | C=1(C(=O)N(CC)CC)C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94679 |