| SpectraBase Spectrum ID |
5HDMjHlKMz7 |
| Name |
t-Butyl N-((S)-5-Methylhex-1-en-3-yl)-L-prolinate |
| Carrier Gas |
Hydrogen |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
267.219829176 u |
| Formula |
C16H29NO2 |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C16H29NO2/c1-7-13(11-12(2)3)17-10-8-9-14(17)15(18)19-16(4,5)6/h7,12-14H,1,8-11H2,2-6H3/t13-,14+/m1/s1 |
| InChIKey |
CQRHQHWEDDMGDN-KGLIPLIRSA-N |
| Instrument Name |
Agilent HP6890-5937 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202200188 |
| Molecular Weight |
267.413 g/mol |
| Optical Rotation |
[a]D20 = -43.6 (365 nm), -22.2 (436 nm), -18.2 (546 nm), -17.3 (579 nm), -17.5 (589 nm) (c = 0.31 g/100 mL, CHCl3) |
| Quality |
78 |
| SMILES |
CC(C[C@](N1CCC[C@]1(C(OC(C)(C)C)=O)[H])(C=C)[H])C |
| SPLASH |
splash10-014i-3900000000-5ea50875f8c955e3f897 |
| Sample Comments |
>99% de |
| Source of Spectrum |
K1-2022-SM77-S,S-8f (DOI: 10.1002/ejoc.202200188) |
| Thin-Layer Chromatography |
0.41 (SiO2, CyHex/EtOAc, 5:1) |
| Wiley ID |
1898522 |
