| SpectraBase Spectrum ID |
JKP3prkelvq |
| Name |
(E)-8-(Tert-butylthio)-8-keto-oct-6-enoic acid propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
286.160265868 u |
| Formula |
C15H26O3S |
| InChI |
InChI=1S/C15H26O3S/c1-5-12-18-13(16)10-8-6-7-9-11-14(17)19-15(2,3)4/h9,11H,5-8,10,12H2,1-4H3/b11-9+ |
| InChIKey |
ANGGVMKUIMANLS-PKNBQFBNSA-N |
| SMILES |
C(CCCC\C=C\C(=O)SC(C)(C)C)(=O)OCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946289 |
