| SpectraBase Spectrum ID |
8x1oC9LLBYo |
| Name |
ethyl 5-((4-bromophenyl)(4-methoxyphenyl)methyl)thiophene-2-carboxylate |
| Appearance |
Waxy oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.023828643 u |
| Formula |
C21H19BrO3S |
| InChI |
InChI=1S/C21H19BrO3S/c1-3-25-21(23)19-13-12-18(26-19)20(14-4-8-16(22)9-5-14)15-6-10-17(24-2)11-7-15/h4-13,20H,3H2,1-2H3 |
| InChIKey |
KTWRUCCARBKWOA-UHFFFAOYSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202101682 |
| Molecular Weight |
431.344 g/mol |
| Quality |
19 |
| Reported Formula |
C21H19BrO3S |
| SMILES |
C1(C(C2=CC=C(S2)C(=O)OCC)C2=CC=C(C=C2)OC)=CC=C(C=C1)Br |
| SPLASH |
splash10-0a4i-0167900000-7c8987860084cc6a0a27 |
| Source of Spectrum |
ACI-60-SM26-5p (DOI: 10.1002/anie.202101682) |
| Wiley ID |
1891264 |
