| SpectraBase Spectrum ID |
8xhO0BiNfGj |
| Name |
Methyl 1-nonyl-2-[(1S,2S)-(2-hydroxy-cyclohexyl)oxy]cyclopent-2-en-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.277009700 u |
| Formula |
C22H38O4 |
| InChI |
InChI=1S/C22H38O4/c1-3-4-5-6-7-8-11-16-22(21(24)25-2)17-12-15-20(22)26-19-14-10-9-13-18(19)23/h15,18-19,23H,3-14,16-17H2,1-2H3/t18-,19-,22+/m0/s1 |
| InChIKey |
CEHPRZSIBHHXSR-CNNODRBYSA-N |
| Molecular Weight |
366.542 g/mol |
| SMILES |
[C@]1(C(O[C@@]2([C@@](O)(CCCC2)[H])[H])=CCC1)(C(=O)OC)CCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856732 |
![Methyl 1-nonyl-2-[(1S,2S)-(2-hydroxy-cyclohexyl)oxy]cyclopent-2-en-1-carboxylate](/api/spectrum/8xhO0BiNfGj/structure.png?h=300&w=458 "Methyl 1-nonyl-2-[(1S,2S)-(2-hydroxy-cyclohexyl)oxy]cyclopent-2-en-1-carboxylate")
