| SpectraBase Spectrum ID |
LeUxRNztLQo |
| Name |
4-Etienic acid, 3-acetoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.230059506 u |
| Formula |
C22H32O4 |
| InChI |
InChI=1S/C22H32O4/c1-13(23)26-15-8-10-21(2)14(12-15)4-5-16-17-6-7-19(20(24)25)22(17,3)11-9-18(16)21/h12,15-19H,4-11H2,1-3H3,(H,24,25) |
| InChIKey |
IGVSYDSRXDDVNK-UHFFFAOYSA-N |
| Molecular Weight |
360.494 g/mol |
| SMILES |
C1(CCC2(C(=C1)CCC1C2CCC2(C1CCC2C(=O)O)C)C)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976592 |
