| SpectraBase Spectrum ID |
Jz9CwyR3or7 |
| Name |
tert-Butyl (3R)-3-(2-thioxo-1-piperidinyl)octanoate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H31NO2S |
| InChI |
InChI=1S/C17H31NO2S/c1-5-6-7-10-14(13-16(19)20-17(2,3)4)18-12-9-8-11-15(18)21/h14H,5-13H2,1-4H3/t14-/m1/s1 |
| InChIKey |
NFAOHVKYPLATTB-CQSZACIVSA-N |
| Instrument Name |
VG 70 SEQ |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1186/1860-5397-4-5 |
| Molecular Weight |
313.500 g/mol |
| Optical Rotation |
[a]D22 = + 19.3 (c = 1.47, absolute EtOH) |
| SMILES |
[C@](N1C(CCCC1)=S)(CCCCC)(CC(OC(C)(C)C)=O)[H] |
| SPLASH |
splash10-0aor-2591000000-b1df8388f22595c4670c |
| Source of Spectrum |
BJO-4-SM5-27 |
| Thin-Layer Chromatography |
Rf = 0.51 (hexane-EtOAc, 4:1) |
| Wiley ID |
1871519 |
