| SpectraBase Spectrum ID |
CY3ULX9pNT |
| Name |
Methyl [6-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-1,3-benzodioxol-5-yl](.alpha.-oxo)acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.084851820 u |
| Formula |
C16H15NO7 |
| InChI |
InChI=1S/C16H15NO7/c1-22-16(21)15(20)10-7-12-11(23-8-24-12)6-9(10)4-5-17-13(18)2-3-14(17)19/h6-7H,2-5,8H2,1H3 |
| InChIKey |
BYZRQAZUXWBWRJ-UHFFFAOYSA-N |
| Molecular Weight |
333.296 g/mol |
| SMILES |
C1(N(C(CC1)=O)CCC1=C(C(C(=O)OC)=O)C=C2C(=C1)OCO2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851599 |
![Methyl [6-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-1,3-benzodioxol-5-yl](.alpha.-oxo)acetate](/api/spectrum/CY3ULX9pNT/structure.png?h=300&w=458 "Methyl [6-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-1,3-benzodioxol-5-yl](.alpha.-oxo)acetate")
