| SpectraBase Spectrum ID |
Ihwugdf5tjd |
| Name |
Diethyl 2-[3'-hydroxybut-1'-en-1'-yl]cyclopentane-1,1-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.162373868 u |
| Formula |
C15H24O5 |
| InChI |
InChI=1S/C15H24O5/c1-4-19-13(17)15(14(18)20-5-2)10-6-7-12(15)9-8-11(3)16/h8-9,11-12,16H,4-7,10H2,1-3H3/b9-8+/t11?,12-/m1/s1 |
| InChIKey |
ISAINJKYTQSHQA-FYODLMAKSA-N |
| SMILES |
C1(C(=O)OCC)(C(=O)OCC)[C@@](\C=C\C(O)C)(CCC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969418 |
![Diethyl 2-[3'-hydroxybut-1'-en-1'-yl]cyclopentane-1,1-dicarboxylate](/api/spectrum/Ihwugdf5tjd/structure.png?h=300&w=458 "Diethyl 2-[3'-hydroxybut-1'-en-1'-yl]cyclopentane-1,1-dicarboxylate")
