| SpectraBase Spectrum ID |
LZnZzkygqxU |
| Name |
tert-Butyl (S)-((R)-7-ethyl-2-oxo-2,3,4,7-tetrahydro-1H-azepin-1-yl)-3-phenylpropanoate |
| Appearance |
Colorless viscous oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H29NO3 |
| InChI |
InChI=1S/C21H29NO3/c1-5-17-13-9-10-14-19(23)22(17)18(20(24)25-21(2,3)4)15-16-11-7-6-8-12-16/h6-9,11-13,17-18H,5,10,14-15H2,1-4H3/t17-,18+/m1/s1 |
| InChIKey |
NNVNFTQPWINJBR-MSOLQXFVSA-N |
| Instrument Name |
Agilent 6890-5937 N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202000307 |
| Molecular Weight |
343.467 g/mol |
| Optical Rotation |
[a]D20 = -818.2 (365 nm), -475.8 (436 nm), -262.5 (546 nm), -228.1 (579 nm), -219.1 (589 nm) (c = 0.510 g/100 ml, CHCl3) |
| SMILES |
C1CC(N([C@@](C=C1)(CC)[H])[C@](C(=O)OC(C)(C)C)(Cc1ccccc1)[H])=O |
| SPLASH |
splash10-02mm-7950000000-2d0cf8755c1493138204 |
| Source of Spectrum |
QE-26-SM49-11b |
| Thin-Layer Chromatography |
Rf = 0.24 (Silica, cHex/EtOAc, 3:2) |
| Wiley ID |
1858603 |
