| SpectraBase Compound ID | FXsIqVdinND |
|---|---|
| InChI | InChI=1S/C7H13NO3/c1-7(2,8-10)5-4-6(9)11-3/h4-5H2,1-3H3 |
| InChIKey | REQXGNBNPSILMK-UHFFFAOYSA-N |
| Mol Weight | 159.18 g/mol |
| Molecular Formula | C7H13NO3 |
| Exact Mass | 159.089543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8ZlpdEnkfeH |
|---|---|
| Name | Pentanoic acid, 4-methyl-4-nitroso-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.089543280 u |
| Formula | C7H13NO3 |
| InChI | InChI=1S/C7H13NO3/c1-7(2,8-10)5-4-6(9)11-3/h4-5H2,1-3H3 |
| InChIKey | REQXGNBNPSILMK-UHFFFAOYSA-N |
| Molecular Weight | 159.185 g/mol |
| SMILES | C(N=O)(CCC(=O)OC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978237 |