| SpectraBase Compound ID | DFPpLZfQTC3 |
|---|---|
| InChI | InChI=1S/C12H25NO2/c1-9(2)10(13(6)7)11(14)15-8-12(3,4)5/h9-10H,8H2,1-7H3 |
| InChIKey | OOTSETWHCUDQFP-UHFFFAOYSA-N |
| Mol Weight | 215.34 g/mol |
| Molecular Formula | C12H25NO2 |
| Exact Mass | 215.188529 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6Y5FVZVAG0L |
|---|---|
| Name | N,N-Dimethyl-L-valine, neopentyl 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/c1-9(2)10(13(6)7)11(14)15-8-12(3,4)5/h9-10H,8H2,1-7H3 |
| InChIKey | OOTSETWHCUDQFP-UHFFFAOYSA-N |
| Molecular Weight | 215.337 g/mol |
| SMILES | CC(C)C(N(C)C)C(=O)OCC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989163 |