| SpectraBase Spectrum ID |
AuKzWvItHwa |
| Name |
Ethyl cis-2-butyl-1-(4-nitrophenyl)cyclopropane-1-carboxylate |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.147058156 u |
| Formula |
C16H21NO4 |
| InChI |
InChI=1S/C16H21NO4/c1-3-5-6-13-11-16(13,15(18)21-4-2)12-7-9-14(10-8-12)17(19)20/h7-10,13H,3-6,11H2,1-2H3/t13-,16-/m1/s1 |
| InChIKey |
KOVIZOUQWKKRGQ-CZUORRHYSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jacs.2c02258 |
| Optical Rotation |
[a]D20 = -83.5 (c = 0.9, CHCl3) |
| Quality |
207 |
| SMILES |
[C@]1([C@@](C1)(CCCC)[H])(C1=CC=C(C=C1)[N+]([O-])=O)C(OCC)=O |
| SPLASH |
splash10-002g-0920000000-b34ae67eccfa93c6f76c |
| Source of Spectrum |
C-144-SM44-cis-3na (DOI: 10.1021/jacs.2c02258) |
| Wiley ID |
1910659 |
