| SpectraBase Spectrum ID |
3QPfSKJr5IW |
| Name |
Ethyl trans-1-(benzofuran-6-yl)-2-(4-methoxyphenyl)cyclopropane-1-carboxylate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H20O4 |
| InChI |
InChI=1S/C21H20O4/c1-3-24-20(22)21(16-7-4-15-10-11-25-19(15)12-16)13-18(21)14-5-8-17(23-2)9-6-14/h4-12,18H,3,13H2,1-2H3/t18-,21-/m1/s1 |
| InChIKey |
MQEDMNGKFRRNIP-WIYYLYMNSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jacs.2c02258 |
| Molecular Weight |
336.387 g/mol |
| Optical Rotation |
[a]D20 = -31.0 (c = 1.0, CHCl3) |
| Quality |
178 |
| SMILES |
[C@]1([C@](C1)(C1=CC=C(C=C1)OC)[H])(C=1C=C2C(=CC1)C=CO2)C(OCC)=O |
| SPLASH |
splash10-01pc-0297000000-5b16f48f0a2dff8c5114 |
| Source of Spectrum |
C-144-SM47-trans-3ar (DOI: 10.1021/jacs.2c02258) |
| Wiley ID |
1910674 |
