| SpectraBase Spectrum ID |
BU8DCWcbcEJ |
| Name |
Ethyl 8-(2-octylcyclopropyl)octanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.302830526 u |
| Formula |
C21H40O2 |
| InChI |
InChI=1S/C21H40O2/c1-3-5-6-7-9-12-15-19-18-20(19)16-13-10-8-11-14-17-21(22)23-4-2/h19-20H,3-18H2,1-2H3 |
| InChIKey |
FBLBGKVBGFKVLX-UHFFFAOYSA-N |
| Molecular Weight |
324.549 g/mol |
| SMILES |
C1C(CCCCCCCC)C1CCCCCCCC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881408 |
