| SpectraBase Spectrum ID |
7tIhiz1sEBT |
| Name |
Butanoic acid, 1,2-cyclopropanediylbis(methylene) ester, cis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.151809184 u |
| Formula |
C13H22O4 |
| InChI |
InChI=1S/C13H22O4/c1-3-5-12(14)16-8-10-7-11(10)9-17-13(15)6-4-2/h10-11H,3-9H2,1-2H3/t10-,11+ |
| InChIKey |
GSUDYVNLXHESSW-PHIMTYICSA-N |
| Molecular Weight |
242.315 g/mol |
| SMILES |
[C@]1([C@@](COC(=O)CCC)(C1)[H])(COC(=O)CCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956875 |
