| SpectraBase Compound ID | 3RiLlyglkd |
|---|---|
| InChI | InChI=1S/C9H17NO2/c1-3-5-6-7-10-9(11)12-8-4-2/h4H,2-3,5-8H2,1H3,(H,10,11) |
| InChIKey | JAHSIPMXVHHTSM-UHFFFAOYSA-N |
| Mol Weight | 171.24 g/mol |
| Molecular Formula | C9H17NO2 |
| Exact Mass | 171.125929 g/mol |
| SpectraBase Spectrum ID | DOMjKbInGfR |
|---|---|
| Name | Carbonic acid, monoamide, N-pentyl-, allyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.125928789 u |
| Formula | C9H17NO2 |
| InChI | InChI=1S/C9H17NO2/c1-3-5-6-7-10-9(11)12-8-4-2/h4H,2-3,5-8H2,1H3,(H,10,11) |
| InChIKey | JAHSIPMXVHHTSM-UHFFFAOYSA-N |
| Molecular Weight | 171.240 g/mol |
| SMILES | C(CCNC(OCC=C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961977 |