| SpectraBase Spectrum ID |
76OuTs3IR9F |
| Name |
Ethyl 3-(9'-anthracenyl-10'-chloro)-5-(1""""-hydroxy-2-phenylethyl)-4-isoxazolecarboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
471.123735888 u |
| Formula |
C28H22ClNO4 |
| InChI |
InChI=1S/C28H22ClNO4/c1-2-33-28(32)24-26(30-34-27(24)22(31)16-17-10-4-3-5-11-17)23-18-12-6-8-14-20(18)25(29)21-15-9-7-13-19(21)23/h3-15,22,31H,2,16H2,1H3 |
| InChIKey |
NUFGBRNKLWOIJV-UHFFFAOYSA-N |
| Molecular Weight |
471.940 g/mol |
| SMILES |
C=1(C(C2=C3C(C=CC=C3)=C(C=3C2=CC=CC3)Cl)=NOC1C(CC=1C=CC=CC1)O)C(=O)OCC |
