| SpectraBase Spectrum ID |
4zI7kHLUL86 |
| Name |
3-Cyclopentene-1-octanoic acid, 2-hydroxy-3,4-dimethyl-5-oxo-2-pentyl-, methyl ester, trans- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.261359635 u |
| Formula |
C21H36O4 |
| InChI |
InChI=1S/C21H36O4/c1-5-6-12-15-21(24)17(3)16(2)20(23)18(21)13-10-8-7-9-11-14-19(22)25-4/h18,24H,5-15H2,1-4H3/t18-,21+/m1/s1 |
| InChIKey |
YSSFOFOZEJHHKQ-NQIIRXRSSA-N |
| Molecular Weight |
352.515 g/mol |
| SMILES |
C=1([C@@]([C@](CCCCCCCC(=O)OC)(C(C1C)=O)[H])(O)CCCCC)C |
