For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2H-Pyrimido[2,1-b]benzothiazolium, 4-hydroxy-1-methyl-3-[(4-nitrophenyl)azo]-2-oxo-, hydroxide, inner salt
SpectraBase Compound ID 416VUF6OPzY
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
Mol Weight 381.37 g/mol
Molecular Formula C17H11N5O4S
Exact Mass 381.053175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HIUQR3wvYPB
Name 2H-Pyrimido[2,1-b]benzothiazolium, 4-hydroxy-1-methyl-3-[(4-nitrophenyl)azo]-2-oxo-, hydroxide, inner salt
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
Synonyms 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
Wiley ID 1360087