| SpectraBase Spectrum ID |
4W5QtfOkNNX |
| Name |
Diethyl 2-[( chlorophenyl)methyl]cyclopentane-1,1-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.128486917 u |
| Formula |
C18H23ClO4 |
| InChI |
InChI=1S/C18H23ClO4/c1-3-22-16(20)18(17(21)23-4-2)11-7-9-14(18)12-13-8-5-6-10-15(13)19/h5-6,8,10,14H,3-4,7,9,11-12H2,1-2H3 |
| InChIKey |
MCPRTMADZBFZGT-UHFFFAOYSA-N |
| Molecular Weight |
338.831 g/mol |
| SMILES |
C1(C(CCC1)CC=1C(=CC=CC1)Cl)(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804916 |
![Diethyl 2-[( chlorophenyl)methyl]cyclopentane-1,1-dicarboxylate](/api/spectrum/4W5QtfOkNNX/structure.png?h=300&w=458 "Diethyl 2-[( chlorophenyl)methyl]cyclopentane-1,1-dicarboxylate")
