| SpectraBase Spectrum ID |
KFUsN8e7coq |
| Name |
Diethyl 3-phenyl-3,3A,4,5,6,7-hexahydro-2H-benzopyrroline-2,2-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.178358285 u |
| Formula |
C20H25NO4 |
| InChI |
InChI=1S/C20H25NO4/c1-3-24-18(22)20(19(23)25-4-2)17(14-10-6-5-7-11-14)15-12-8-9-13-16(15)21-20/h5-7,10-11,15,17H,3-4,8-9,12-13H2,1-2H3/t15-,17-/m1/s1 |
| InChIKey |
IVSMSFYTNROFLI-NVXWUHKLSA-N |
| Molecular Weight |
343.423 g/mol |
| SMILES |
C1(N=C2CCCC[C@]2([C@]1(C1=CC=CC=C1)[H])[H])(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942477 |
