| SpectraBase Spectrum ID |
CQGdQ82gN7d |
| Name |
3-(4'-Methylphenyl)-4-(3a,6,7,7a-tetrahydro-5H-benzo[d]isoxazol-4-on-3-yl)sydnone |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H15N3O4 |
| InChI |
InChI=1S/C16H15N3O4/c1-9-5-7-10(8-6-9)19-15(16(21)23-18-19)14-13-11(20)3-2-4-12(13)22-17-14/h5-8,12-13H,2-4H2,1H3 |
| InChIKey |
MTTYSSCMCSJGBI-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002/jccs.200100169 |
| Molecular Weight |
313.313 g/mol |
| SMILES |
c1([n+](noc1[O-])-c1ccc(cc1)C)C1=NOC2C1C(CCC2)=O |
| SPLASH |
splash10-0a4i-6490000000-7efabbe12c0007931dfe |
| Source of Spectrum |
QA-48-1148-4b |
| Synonyms |
4-(4-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d]isoxazol-3-yl)-3-(p-tolyl)-1,2,3-oxadiazol-3-ium-5-olate |
| Wiley ID |
1795505 |
![3-(4'-Methylphenyl)-4-(3a,6,7,7a-tetrahydro-5H-benzo[d]isoxazol-4-on-3-yl)sydnone](/api/spectrum/CQGdQ82gN7d/structure.png?h=300&w=458 "3-(4'-Methylphenyl)-4-(3a,6,7,7a-tetrahydro-5H-benzo[d]isoxazol-4-on-3-yl)sydnone")
