| SpectraBase Spectrum ID |
DJqkFaSZiOP |
| Name |
N-(2-Ethoxycarbonyl-4-methyl-4-nitro-1-cyclohexenyl)-L-valine Diethylamide |
| Appearance |
Orange oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.242021170 u |
| Formula |
C19H33N3O5 |
| InChI |
InChI=1S/C19H33N3O5/c1-7-21(8-2)17(23)16(13(4)5)20-15-10-11-19(6,22(25)26)12-14(15)18(24)27-9-3/h13,16,20H,7-12H2,1-6H3/t16-,19?/m0/s1 |
| InChIKey |
QNWUTDXQWFWHPS-UCFFOFKASA-N |
| Instrument Name |
Thermo Scientific DFS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800931 |
| Molecular Weight |
383.489 g/mol |
| Optical Rotation |
[a]D20 = +43 (c = 0.16 g/L, CH2Cl2) |
| Reported Formula |
C19H33N3O5 |
| SMILES |
N(C=1CCC(CC1C(=O)OCC)(C)[N+]([O-])=O)[C@](C(=O)N(CC)CC)(C(C)C)[H] |
| SPLASH |
splash10-001r-0291000000-f300ca4f7cb37d2da7c4 |
| Sample Comments |
dr = 1:1 |
| Source of Spectrum |
K1-2018-4494-14 (DOI: 10.1002/ejoc.201800931) |
| Wiley ID |
1894247 |
