| SpectraBase Spectrum ID |
CvogS3W6qNW |
| Name |
Dimethyl 2-(propanoylamino)hexanedioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.126322711 u |
| Formula |
C11H19NO5 |
| InChI |
InChI=1S/C11H19NO5/c1-4-9(13)12-8(11(15)17-3)6-5-7-10(14)16-2/h8H,4-7H2,1-3H3,(H,12,13) |
| InChIKey |
SRMQCFKFWUYZJX-UHFFFAOYSA-N |
| Molecular Weight |
245.275 g/mol |
| SMILES |
C(C(NC(=O)CC)CCCC(=O)OC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946441 |
