| SpectraBase Compound ID | 4zBlsyKCgYc |
|---|---|
| InChI | InChI=1S/C21H33NO/c1-4-6-8-13-19(3)22(18-5-2)21(23)17-12-11-16-20-14-9-7-10-15-20/h5,7,9-10,14-15,19H,2,4,6,8,11-13,16-18H2,1,3H3 |
| InChIKey | WPWAELQTFKOMRO-UHFFFAOYSA-N |
| Mol Weight | 315.5 g/mol |
| Molecular Formula | C21H33NO |
| Exact Mass | 315.256215 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FlndJqIo3HD |
|---|---|
| Name | Valeramide, N-allyl-N-(hept-2-yl)-5-phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.256214686 u |
| Formula | C21H33NO |
| InChI | InChI=1S/C21H33NO/c1-4-6-8-13-19(3)22(18-5-2)21(23)17-12-11-16-20-14-9-7-10-15-20/h5,7,9-10,14-15,19H,2,4,6,8,11-13,16-18H2,1,3H3 |
| InChIKey | WPWAELQTFKOMRO-UHFFFAOYSA-N |
| Molecular Weight | 315.501 g/mol |
| SMILES | C(N(C(CCCCC)C)CC=C)(=O)CCCCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929521 |