| SpectraBase Spectrum ID |
Iv9P9TFHy2B |
| Name |
3-[5-(2-Methylpropyl)-3,6-dioxopiperazin-2-yl]propanoic acid, 3me derivative (isomer 2) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.173607257 u |
| Formula |
C14H24N2O4 |
| InChI |
InChI=1S/C14H24N2O4/c1-9(2)8-11-14(19)15(3)10(13(18)16(11)4)6-7-12(17)20-5/h9-11H,6-8H2,1-5H3 |
| InChIKey |
NJSIFJQWVVZECR-UHFFFAOYSA-N |
| SMILES |
CN1C(C(N(C)C(C1=O)CCC(OC)=O)=O)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828975 |
![3-[5-(2-Methylpropyl)-3,6-dioxopiperazin-2-yl]propanoic acid, 3me derivative (isomer 2)](/api/spectrum/Iv9P9TFHy2B/structure.png?h=300&w=458 "3-[5-(2-Methylpropyl)-3,6-dioxopiperazin-2-yl]propanoic acid, 3me derivative (isomer 2)")
