| SpectraBase Spectrum ID |
IEcXMAdLao5 |
| Name |
1,1-Cyclopropanedicarboxylic acid, 2-ethyl-2-(1-oxopropyl)-, dimethyl ester, (.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.115423675 u |
| Formula |
C12H18O5 |
| InChI |
InChI=1S/C12H18O5/c1-5-8(13)11(6-2)7-12(11,9(14)16-3)10(15)17-4/h5-7H2,1-4H3 |
| InChIKey |
PFYQSMDABDSOGA-UHFFFAOYSA-N |
| Molecular Weight |
242.271 g/mol |
| SMILES |
C1(C(C(=O)CC)(CC)C1)(C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938639 |
