| SpectraBase Compound ID | BqZB3Oxpv3m |
|---|---|
| InChI | InChI=1S/C12H25NO2/c1-7-10(4)8-15-12(14)11(9(2)3)13(5)6/h9-11H,7-8H2,1-6H3 |
| InChIKey | PVACTGAOGLYNFD-UHFFFAOYSA-N |
| Mol Weight | 215.34 g/mol |
| Molecular Formula | C12H25NO2 |
| Exact Mass | 215.188529 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 | 1WdV8ps7U7i |
|---|---|
| Name | N,N-Dimethyl-L-valine, 2-methylbutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.188529047 u |
| Formula | C12H25NO2 |
| InChI | InChI=1S/C12H25NO2/c1-7-10(4)8-15-12(14)11(9(2)3)13(5)6/h9-11H,7-8H2,1-6H3 |
| InChIKey | PVACTGAOGLYNFD-UHFFFAOYSA-N |
| Molecular Weight | 215.337 g/mol |
| SMILES | CC(C)C(N(C)C)C(=O)OCC(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976558 |