| SpectraBase Spectrum ID |
5fs96Q9K0XK |
| Name |
3-(p-Ethoxyphenyl)-4-(5'-amino-4'-cyanoisoxazol-3'-yl)sydnone |
| Alternate Name(s) |
4-(5-amino-4-cyano-3-isoxazolyl)-3-(4-ethoxyphenyl)-1,2,3-oxadiazol-3-ium-5-olate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H11N5O4 |
| InChI |
InChI=1S/C14H11N5O4/c1-2-21-9-5-3-8(4-6-9)19-12(14(20)23-18-19)11-10(7-15)13(16)22-17-11/h3-6H,2H2,1H3,(H2-,16,17,18,20) |
| InChIKey |
JVTIZDWMPYEMRM-UHFFFAOYSA-N |
| Molecular Weight |
313.273 g/mol |
| SMILES |
Nc1c(c(-c2[n+](noc2[O-])-c2ccc(cc2)OCC)no1)C#N |
| SPLASH |
splash10-0a4i-0090000000-88a4c52ccf42fc2ec4ec |
| Source of Spectrum |
QA-39-166-4 |
| Wiley ID |
861435 |
