| SpectraBase Spectrum ID |
9tyFSF4ckjT |
| Name |
1-o-Tert-butyl 2-o-ethyl 2-benzyl-5-oxopyrrole-1,2-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.157622840 u |
| Formula |
C19H23NO5 |
| InChI |
InChI=1S/C19H23NO5/c1-5-24-16(22)19(13-14-9-7-6-8-10-14)12-11-15(21)20(19)17(23)25-18(2,3)4/h6-12H,5,13H2,1-4H3 |
| InChIKey |
VUBYTGHTEVIHRH-UHFFFAOYSA-N |
| Molecular Weight |
345.395 g/mol |
| SMILES |
C1(N(C(C=C1)=O)C(OC(C)(C)C)=O)(C(=O)OCC)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952705 |
