| SpectraBase Spectrum ID |
7aqBzyFkAxb |
| Name |
2-[3-(o-Chlorophenyl)-5-methyl-4-isoxazolyl]-6-iodo-4H-3,1-benzoxazin-4-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
463.942464887 u |
| Formula |
C18H10ClIN2O3 |
| InChI |
InChI=1S/C18H10ClIN2O3/c1-9-15(16(22-25-9)11-4-2-3-5-13(11)19)17-21-14-7-6-10(20)8-12(14)18(23)24-17/h2-8H,1H3 |
| InChIKey |
JFMMZRVWLUZTIE-UHFFFAOYSA-N |
| Molecular Weight |
464.646 g/mol |
| SMILES |
C=12C=C(C=CC1N=C(OC2=O)C=1C(=NOC1C)C=1C(=CC=CC1)Cl)I |
![2-[3-(o-chlorophenyl)-5-methyl-4-isoxazolyl]-6-iodo-4H-3,1-benzoxazin-4-one](/api/spectrum/7aqBzyFkAxb/structure.png?h=300&w=458 "2-[3-(o-chlorophenyl)-5-methyl-4-isoxazolyl]-6-iodo-4H-3,1-benzoxazin-4-one")
