| SpectraBase Spectrum ID |
5gBb83RO0gE |
| Name |
1,1-bis(Ethoxycarbonyl)-3-ethenyl-4-(1'-chloroethylidene)cyclopentane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.112836852 u |
| Formula |
C15H21ClO4 |
| InChI |
InChI=1S/C15H21ClO4/c1-5-11-8-15(13(17)19-6-2,14(18)20-7-3)9-12(11)10(4)16/h5,11H,1,6-9H2,2-4H3/b12-10+ |
| InChIKey |
XMHNPERRLWWYCL-ZRDIBKRKSA-N |
| Molecular Weight |
300.782 g/mol |
| SMILES |
C1(C\C(=C\(Cl)C)C(C1)C=C)(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975862 |
