| SpectraBase Spectrum ID |
Ex1qOswu302 |
| Name |
Acetic acid 2-[(1S,2S)-2-acetyl-1-(4-oxo-pentyl)-cyclobutyl]-ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.167459249 u |
| Formula |
C15H24O4 |
| InChI |
InChI=1S/C15H24O4/c1-11(16)5-4-7-15(9-10-19-13(3)18)8-6-14(15)12(2)17/h14H,4-10H2,1-3H3/t14-,15+/m1/s1 |
| InChIKey |
CUYYGKPUKYDHAY-CABCVRRESA-N |
| Molecular Weight |
268.353 g/mol |
| SMILES |
[C@@]1([C@@](CCOC(=O)C)(CCCC(=O)C)CC1)(C(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922787 |
![Acetic acid 2-[(1S,2S)-2-acetyl-1-(4-oxo-pentyl)-cyclobutyl]-ethyl ester](/api/spectrum/Ex1qOswu302/structure.png?h=300&w=458 "Acetic acid 2-[(1S,2S)-2-acetyl-1-(4-oxo-pentyl)-cyclobutyl]-ethyl ester")
