| SpectraBase Spectrum ID |
2WZHLSgLvJk |
| Name |
t-Butyl N-((S)-5-Methylhex-1-en-3-yl)-L-phenylalaninate |
| Carrier Gas |
Hydrogen |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.235479240 u |
| Formula |
C20H31NO2 |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C20H31NO2/c1-7-17(13-15(2)3)21-18(19(22)23-20(4,5)6)14-16-11-9-8-10-12-16/h7-12,15,17-18,21H,1,13-14H2,2-6H3/t17-,18+/m1/s1 |
| InChIKey |
KDPRTVRRCGBMAI-MSOLQXFVSA-N |
| Instrument Name |
Agilent HP6890-5937 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202200188 |
| Optical Rotation |
[a]D20 = 97.1 (365 nm), 47.0 (436 nm), 22.6 (546 nm), 18.1 (579 nm), 16.2 (589 nm) (c = 0.32 g/100 mL, CHCl3) |
| Quality |
86 |
| SMILES |
N([C@@](CC(C)C)(C=C)[H])[C@](C(OC(C)(C)C)=O)(CC1=CC=CC=C1)[H] |
| SPLASH |
splash10-01b9-2590000000-07ac2c5143ea7e44cf80 |
| Sample Comments |
>99% de |
| Source of Spectrum |
K1-2022-SM74-S,S-8e (DOI: 10.1002/ejoc.202200188) |
| Thin-Layer Chromatography |
0.48 (SiO2, CyHex/EtOAc, 5:1) |
| Wiley ID |
1898521 |
