| SpectraBase Spectrum ID |
GcQFLUsXOtQ |
| Name |
(3Alpha,3aalpha,6aalpha)-2,5-diphenyl-3-(2-thienyl)-2,3,3A,6A-tetrahydropyrrolo(3,4-D)isoxazole-4,6(5H)-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.088163554 u |
| Formula |
C21H16N2O3S |
| InChI |
InChI=1S/C21H16N2O3S/c24-20-17-18(16-12-7-13-27-16)23(15-10-5-2-6-11-15)26-19(17)21(25)22(20)14-8-3-1-4-9-14/h1-13,17-19H |
| InChIKey |
CTKZRGNTAQNXDM-UHFFFAOYSA-N |
| Molecular Weight |
376.430 g/mol |
| SMILES |
C1=C(C=CC=C1)N1C(C2C(C(N(O2)C2=CC=CC=C2)C2=CC=CS2)C1=O)=O |
