| SpectraBase Spectrum ID |
B1PzQtCC2Fb |
| Name |
(+-)-methyl 2-bromo-2-[2-(2,5-dioxo-1-pyrrolidinyl)-5-methoxy-4-methylphenyl]acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.021185614 u |
| Formula |
C15H16BrNO5 |
| InChI |
InChI=1S/C15H16BrNO5/c1-8-6-10(17-12(18)4-5-13(17)19)9(7-11(8)21-2)14(16)15(20)22-3/h6-7,14H,4-5H2,1-3H3 |
| InChIKey |
GPENYSCOCBJRIN-UHFFFAOYSA-N |
| Molecular Weight |
370.199 g/mol |
| SMILES |
C1=C(C(=CC(=C1C)OC)C(Br)C(OC)=O)N1C(CCC1=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889774 |
![(+-)-methyl 2-bromo-2-[2-(2,5-dioxo-1-pyrrolidinyl)-5-methoxy-4-methylphenyl]acetate](/api/spectrum/B1PzQtCC2Fb/structure.png?h=300&w=458 "(+-)-methyl 2-bromo-2-[2-(2,5-dioxo-1-pyrrolidinyl)-5-methoxy-4-methylphenyl]acetate")
