| SpectraBase Spectrum ID |
8NMtnn5ezSm |
| Name |
Diethyl trans-1,1-diethyl-1,2,3,4-tetrahydro-2,3-naphthalenedicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.198759378 u |
| Formula |
C20H28O4 |
| InChI |
InChI=1S/C20H28O4/c1-5-20(6-2)16-12-10-9-11-14(16)13-15(18(21)23-7-3)17(20)19(22)24-8-4/h9-12,15,17H,5-8,13H2,1-4H3 |
| InChIKey |
HPCCAUPHYHNWLG-UHFFFAOYSA-N |
| Molecular Weight |
332.440 g/mol |
| SMILES |
C1(C(C(C(=O)OCC)CC2=C1C=CC=C2)C(=O)OCC)(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934141 |
