| SpectraBase Spectrum ID |
EZ0J51XtX8n |
| Name |
ethyl 5-(5-(benzo[d][1,3]dioxol-5-yloxy)-1-(4-bromophenyl)pentyl)thiophene-2-carboxylate |
| Appearance |
Waxy oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
516.060608074 u |
| Formula |
C25H25BrO5S |
| InChI |
InChI=1S/C25H25BrO5S/c1-2-28-25(27)24-13-12-23(32-24)20(17-6-8-18(26)9-7-17)5-3-4-14-29-19-10-11-21-22(15-19)31-16-30-21/h6-13,15,20H,2-5,14,16H2,1H3 |
| InChIKey |
COUJAVLWZUQTKD-UHFFFAOYSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202101682 |
| Molecular Weight |
517.434 g/mol |
| Quality |
57 |
| Reported Formula |
C25H25BrO5S |
| SMILES |
C=1(C(CCCCOC2=CC=C3C(=C2)OCO3)C=2SC(=CC2)C(=O)OCC)C=CC(=CC1)Br |
| SPLASH |
splash10-014r-0542390000-f33dde1b654f2156fe70 |
| Source of Spectrum |
ACI-60-SM36-6k (DOI: 10.1002/anie.202101682) |
| Wiley ID |
1891281 |
![ethyl 5-(5-(benzo[d][1,3]dioxol-5-yloxy)-1-(4-bromophenyl)pentyl)thiophene-2-carboxylate](/api/spectrum/EZ0J51XtX8n/structure.png?h=300&w=458 "ethyl 5-(5-(benzo[d][1,3]dioxol-5-yloxy)-1-(4-bromophenyl)pentyl)thiophene-2-carboxylate")
