| SpectraBase Spectrum ID |
4c2pC61yDnc |
| Name |
4-Isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-, 2-(4-bromophenyl)-2-oxoethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.971648599 u |
| Formula |
C19H13BrClNO4 |
| InChI |
InChI=1S/C19H13BrClNO4/c1-11-17(18(22-26-11)14-4-2-3-5-15(14)21)19(24)25-10-16(23)12-6-8-13(20)9-7-12/h2-9H,10H2,1H3 |
| InChIKey |
SVFIZSBPBYZEPJ-UHFFFAOYSA-N |
| Molecular Weight |
434.673 g/mol |
| SMILES |
C=1(C(C(OCC(C2=CC=C(C=C2)Br)=O)=O)=C(C)ON1)C1=C(Cl)C=CC=C1 |
