| SpectraBase Compound ID | BErxeApjJkh |
|---|---|
| InChI | InChI=1S/C18H29NO/c1-4-5-6-7-8-9-10-13-19-18(20)17-12-11-15(2)14-16(17)3/h11-12,14H,4-10,13H2,1-3H3,(H,19,20) |
| InChIKey | SITQHTSRRIIZRT-UHFFFAOYSA-N |
| Mol Weight | 275.44 g/mol |
| Molecular Formula | C18H29NO |
| Exact Mass | 275.224915 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ICai1cF0oqB |
|---|---|
| Name | Benzamide, 2,4-dimethyl-N-nonyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.224914557 u |
| Formula | C18H29NO |
| InChI | InChI=1S/C18H29NO/c1-4-5-6-7-8-9-10-13-19-18(20)17-12-11-15(2)14-16(17)3/h11-12,14H,4-10,13H2,1-3H3,(H,19,20) |
| InChIKey | SITQHTSRRIIZRT-UHFFFAOYSA-N |
| SMILES | C(CNC(=O)C1=C(C)C=C(C)C=C1)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.944339 |