| SpectraBase Spectrum ID |
6rAONEeLYRG |
| Name |
cis-1-Butyl-3-tert-butyl-4-(phenylthio)piperidin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.196985731 u |
| Formula |
C19H29NOS |
| InChI |
InChI=1S/C19H29NOS/c1-5-6-13-20-14-12-16(17(18(20)21)19(2,3)4)22-15-10-8-7-9-11-15/h7-11,16-17H,5-6,12-14H2,1-4H3/t16-,17-/m1/s1 |
| InChIKey |
ZJKWTLPUDOVDNM-IAGOWNOFSA-N |
| Molecular Weight |
319.507 g/mol |
| SMILES |
C1N(C([C@@]([C@@](C1)(SC=1C=CC=CC1)[H])(C(C)(C)C)[H])=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835972 |
