| SpectraBase Spectrum ID |
BpThPIoqBuV |
| Name |
Ethyl cis-1-(4-nitrophenyl)-2-(thiophen-2-yl)cyclopropane-1-carboxylate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H15NO4S |
| InChI |
InChI=1S/C16H15NO4S/c1-2-21-15(18)16(10-13(16)14-4-3-9-22-14)11-5-7-12(8-6-11)17(19)20/h3-9,13H,2,10H2,1H3/t13-,16+/m0/s1 |
| InChIKey |
IEOWNMDFICSQGR-XJKSGUPXSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jacs.2c02258 |
| Molecular Weight |
317.359 g/mol |
| Optical Rotation |
[a]D20 = -158.3 (c = 1.0, CHCl3). |
| Quality |
213 |
| SMILES |
[C@]1([C@@](C1)(C=1SC=CC1)[H])(C1=CC=C(C=C1)[N+]([O-])=O)C(OCC)=O |
| SPLASH |
splash10-00r2-0962000000-05a6f8083c46637667fe |
| Source of Spectrum |
C-144-SM43-cis-3ia (DOI: 10.1021/jacs.2c02258) |
| Wiley ID |
1910657 |
