| SpectraBase Spectrum ID |
HIUQR3wvYPB |
| Name |
2H-Pyrimido[2,1-b]benzothiazolium, 4-hydroxy-1-methyl-3-[(4-nitrophenyl)azo]-2-oxo-, hydroxide, inner salt |
| Alternate Name(s) |
1-Methyl-3-(4-nitrophenylazo)-2-oxo-2H-pyrimido[2,1-b]benzothiazol-1-ium-4-olat
1-methyl-3-[(E)-(4-nitrophenyl)diazenyl]-2-oxo-1H,2H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-4-olate |
| CAS Registry Number |
100645-16-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H11N5O4S |
| InChI |
InChI=1S/C17H11N5O4S/c1-20-15(23)14(19-18-10-6-8-11(9-7-10)22(25)26)16(24)21-12-4-2-3-5-13(12)27-17(20)21/h2-9H,1H3 |
| InChIKey |
ZAWNOVQNAFVGJR-UHFFFAOYSA-N |
| Molecular Weight |
381.366 g/mol |
| SMILES |
c12[n+](C(=C(C(N2C)=O)\N=N\c2ccc(N(=O)=O)cc2)[O-])c2c(s1)cccc2 |
| SPLASH |
splash10-004i-0903000000-9db5992aa420772a41df |
| Source of Spectrum |
K-118-4583-5 |
| Wiley ID |
1360087 |
![2H-Pyrimido[2,1-b]benzothiazolium, 4-hydroxy-1-methyl-3-[(4-nitrophenyl)azo]-2-oxo-, hydroxide, inner salt](/api/spectrum/HIUQR3wvYPB/structure.png?h=300&w=458 "2H-Pyrimido[2,1-b]benzothiazolium, 4-hydroxy-1-methyl-3-[(4-nitrophenyl)azo]-2-oxo-, hydroxide, inner salt")
