| SpectraBase Compound ID | Fa5gIZEwATy |
|---|---|
| InChI | InChI=1S/C8H16N2O2/c1-4-8(10-7(3)12)5-9-6(2)11/h8H,4-5H2,1-3H3,(H,9,11)(H,10,12) |
| InChIKey | OIPKOJIURSMLCM-UHFFFAOYSA-N |
| Mol Weight | 172.23 g/mol |
| Molecular Formula | C8H16N2O2 |
| Exact Mass | 172.121178 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AVOGmfIOP7y |
|---|---|
| Name | D-Glycero-1,2-diacetamidobutane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.121177761 u |
| Formula | C8H16N2O2 |
| InChI | InChI=1S/C8H16N2O2/c1-4-8(10-7(3)12)5-9-6(2)11/h8H,4-5H2,1-3H3,(H,9,11)(H,10,12) |
| InChIKey | OIPKOJIURSMLCM-UHFFFAOYSA-N |
| Molecular Weight | 172.228 g/mol |
| SMILES | CCC(CNC(C)=O)NC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.838627 |