| SpectraBase Spectrum ID |
7SBfGGCdqha |
| Name |
Ethyl (1S)-2,2-dimethyl-1-(4-nitrophenyl)cyclopropane-1-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
263.115758027 u |
| Formula |
C14H17NO4 |
| InChI |
InChI=1S/C14H17NO4/c1-4-19-12(16)14(9-13(14,2)3)10-5-7-11(8-6-10)15(17)18/h5-8H,4,9H2,1-3H3/t14-/m0/s1 |
| InChIKey |
NTNLJKHVKJNTPA-AWEZNQCLSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jacs.2c02258 |
| Molecular Weight |
263.293 g/mol |
| Optical Rotation |
[a]D20 = -40.0 (c = 1.0, CHCl3) |
| Quality |
303 |
| SMILES |
[C@]1(C(C1)(C)C)(C1=CC=C(C=C1)[N+]([O-])=O)C(OCC)=O |
| SPLASH |
splash10-0gdl-0980000000-e21d91b78a7adea6732c |
| Sample Comments |
97% ee |
| Source of Spectrum |
C-144-SM48-3xb (DOI: 10.1021/jacs.2c02258) |
| Wiley ID |
1910637 |
