| SpectraBase Spectrum ID |
IaHumjlh5RC |
| Name |
3-(4'-Methylphenyl)-4-(7a-methyl-3a,6,7,7a-tetrahydro-5H-benzo[d]isoxazol-4-on-3-yl)sydnone |
| Alternate Name(s) |
4-(7a-methyl-4-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d]isoxazol-3-yl)-3-(p-tolyl)-1,2,3-oxadiazol-3-ium-5-olate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H17N3O4 |
| InChI |
InChI=1S/C17H17N3O4/c1-10-5-7-11(8-6-10)20-15(16(22)23-19-20)14-13-12(21)4-3-9-17(13,2)24-18-14/h5-8,13H,3-4,9H2,1-2H3 |
| InChIKey |
BVSBRFBJUOARQL-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002/jccs.200100169 |
| Molecular Weight |
327.340 g/mol |
| SMILES |
c1([n+](noc1[O-])-c1ccc(cc1)C)C1=NOC2(C1C(CCC2)=O)C |
| SPLASH |
splash10-014l-9250000000-e995af4fb826f3ce8d9f |
| Source of Spectrum |
QA-48-1149-6b |
| Wiley ID |
1795510 |
![3-(4'-Methylphenyl)-4-(7a-methyl-3a,6,7,7a-tetrahydro-5H-benzo[d]isoxazol-4-on-3-yl)sydnone](/api/spectrum/IaHumjlh5RC/structure.png?h=300&w=458 "3-(4'-Methylphenyl)-4-(7a-methyl-3a,6,7,7a-tetrahydro-5H-benzo[d]isoxazol-4-on-3-yl)sydnone")
