| SpectraBase Spectrum ID |
EBqsRoIwoLi |
| Name |
2-Furanpentanoic acid, .beta.-[(ethylthio)carbonyl]tetrahydro-2-methyl-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.155180487 u |
| Formula |
C15H26O4S |
| InChI |
InChI=1S/C15H26O4S/c1-4-18-13(16)11-12(14(17)20-5-2)7-9-15(3)8-6-10-19-15/h12H,4-11H2,1-3H3 |
| InChIKey |
GAIPBJIGPAEHFQ-UHFFFAOYSA-N |
| Molecular Weight |
302.429 g/mol |
| SMILES |
C(C(CC(=O)OCC)CCC1(OCCC1)C)(=O)SCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957993 |
![2-Furanpentanoic acid, .beta.-[(ethylthio)carbonyl]tetrahydro-2-methyl-, ethyl ester](/api/spectrum/EBqsRoIwoLi/structure.png?h=300&w=458 "2-Furanpentanoic acid, .beta.-[(ethylthio)carbonyl]tetrahydro-2-methyl-, ethyl ester")
