| SpectraBase Spectrum ID |
CcfUhovpIqp |
| Name |
Ethyl ester of 2-(2-pentylcyclopropylmethyl)cyclopropaneoctanoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.302830526 u |
| Formula |
C22H40O2 |
| InChI |
InChI=1S/C22H40O2/c1-3-5-9-12-18-15-20(18)17-21-16-19(21)13-10-7-6-8-11-14-22(23)24-4-2/h18-21H,3-17H2,1-2H3 |
| InChIKey |
VWTMEKZAVOHMDQ-UHFFFAOYSA-N |
| Molecular Weight |
336.560 g/mol |
| SMILES |
C1(CC1CCCCCCCC(=O)OCC)CC1CC1CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933405 |
