| SpectraBase Spectrum ID |
5OCztZyKXpA |
| Name |
2-Cyclopropene-1-carboxylic acid, 2-butyl-1-(3-ethoxy-3-oxo-1-propenyl)-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.151809184 u |
| Formula |
C15H22O4 |
| InChI |
InChI=1S/C15H22O4/c1-4-7-8-12-11-15(12,14(17)19-6-3)10-9-13(16)18-5-2/h9-11H,4-8H2,1-3H3/b10-9+ |
| InChIKey |
BNYOREIWNIAIGT-MDZDMXLPSA-N |
| Molecular Weight |
266.337 g/mol |
| SMILES |
C1(C=C1CCCC)(\C=C\C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865119 |
