| SpectraBase Spectrum ID |
AQUJoSJbOUz |
| Name |
Ethyl trans-1-(benzo[b]thiophen-3-yl)-2-(4-methoxyphenyl)cyclopropane-1-carboxylate |
| Appearance |
Brown oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.113315675 u |
| Formula |
C21H20O3S |
| InChI |
InChI=1S/C21H20O3S/c1-3-24-20(22)21(18-13-25-19-7-5-4-6-16(18)19)12-17(21)14-8-10-15(23-2)11-9-14/h4-11,13,17H,3,12H2,1-2H3/t17-,21+/m1/s1 |
| InChIKey |
NCIDCHCJGFMKDL-UTKZUKDTSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jacs.2c02258 |
| Molecular Weight |
352.448 g/mol |
| Optical Rotation |
[a]D20 = 39.6 (c = 1.0, CHCl3) |
| Quality |
218 |
| SMILES |
[C@]1([C@](C1)(C1=CC=C(C=C1)OC)[H])(C1=CSC2=C1C=CC=C2)C(OCC)=O |
| SPLASH |
splash10-0670-1975000000-5b12e00fbad2234f6979 |
| Source of Spectrum |
C-144-SM46-trans-3aq (DOI: 10.1021/jacs.2c02258) |
| Wiley ID |
1910673 |
![Ethyl trans-1-(benzo[b]thiophen-3-yl)-2-(4-methoxyphenyl)cyclopropane-1-carboxylate](/api/spectrum/AQUJoSJbOUz/structure.png?h=300&w=458 "Ethyl trans-1-(benzo[b]thiophen-3-yl)-2-(4-methoxyphenyl)cyclopropane-1-carboxylate")
