| SpectraBase Spectrum ID |
C82ZlbVnS3R |
| Name |
1-(3,5-Dimethoxyphenoxy)-1-phenyl-2-(thiophen-2-yl)propan-2-ol |
| Appearance |
Colorless gel |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.123880358 u |
| Formula |
C21H22O4S |
| InChI |
InChI=1S/C21H22O4S/c1-21(22,19-10-7-11-26-19)20(15-8-5-4-6-9-15)25-18-13-16(23-2)12-17(14-18)24-3/h4-14,20,22H,1-3H3 |
| InChIKey |
XAKXMURMWBXCCA-UHFFFAOYSA-N |
| Instrument Name |
Agilent 6890N/5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201602254 |
| Molecular Weight |
370.463 g/mol |
| Quality |
18 |
| Reported Formula |
C21H22O4S |
| SMILES |
OC(C(OC1=CC(=CC(=C1)OC)OC)C1=CC=CC=C1)(C)C=1SC=CC1 |
| SPLASH |
splash10-002f-0390000000-0a9f74dce23ae37df0c9 |
| Sample Comments |
Major isomer, Mixture of diastereoisomers = (4:1) |
| Source of Spectrum |
QE-22-SM31-11g (DOI: 10.1002/chem.201602254) |
| Thin-Layer Chromatography |
0.16 (hexane/EtOAc, 8:1) |
| Wiley ID |
1905184 |
