| SpectraBase Spectrum ID |
9ww4h9ZLXpI |
| Name |
3-(2,3-Dimethyl-1,4-dioxoperhydropyrrolo[1,2-A]pyrazin-3-yl)-2-phenylpropansaeure |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.157957192 u |
| Formula |
C18H22N2O4 |
| InChI |
InChI=1S/C18H22N2O4/c1-18(11-13(16(22)23)12-7-4-3-5-8-12)17(24)20-10-6-9-14(20)15(21)19(18)2/h3-5,7-8,13-14H,6,9-11H2,1-2H3,(H,22,23) |
| InChIKey |
UOYYWUKPMGRLFF-UHFFFAOYSA-N |
| Molecular Weight |
330.384 g/mol |
| SMILES |
C1=C(C=CC=C1)C(CC1(C(N2CCCC2C(N1C)=O)=O)C)C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963784 |
![3-(2,3-Dimethyl-1,4-dioxoperhydropyrrolo[1,2-A]pyrazin-3-yl)-2-phenylpropansaeure](/api/spectrum/9ww4h9ZLXpI/structure.png?h=300&w=458 "3-(2,3-Dimethyl-1,4-dioxoperhydropyrrolo[1,2-A]pyrazin-3-yl)-2-phenylpropansaeure")
