| SpectraBase Spectrum ID |
HNmk7Et7v9P |
| Name |
1-Cyclopentene-1-heptanoic acid, 3-[(2-hydroxyheptyl)thio]-5-oxo-, methyl ester, [S-(R*,R*)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.217780745 u |
| Formula |
C20H34O4S |
| InChI |
InChI=1S/C20H34O4S/c1-3-4-7-11-17(21)15-25-18-13-16(19(22)14-18)10-8-5-6-9-12-20(23)24-2/h13,17-18,21H,3-12,14-15H2,1-2H3/t17-,18+/m0/s1 |
| InChIKey |
FMVJDUYQJOTRPZ-ZWKOTPCHSA-N |
| Molecular Weight |
370.548 g/mol |
| SMILES |
C=1(C(C[C@@](C1)(SC[C@@](O)(CCCCC)[H])[H])=O)CCCCCCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891034 |
![1-Cyclopentene-1-heptanoic acid, 3-[(2-hydroxyheptyl)thio]-5-oxo-, methyl ester, [S-(R*,R*)]-](/api/spectrum/HNmk7Et7v9P/structure.png?h=300&w=458 "1-Cyclopentene-1-heptanoic acid, 3-[(2-hydroxyheptyl)thio]-5-oxo-, methyl ester, [S-(R*,R*)]-")
