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1-(2-Carboxyethyl)-4-[p-(di-n-butylamino)styryl]-pyridinium .beta.ine
SpectraBase Compound ID 11dGIpvurqx
InChI InChI=1S/C24H32N2O2/c1-23(2,3)26(24(4,5)6)21-11-9-19(10-12-21)7-8-20-13-16-25(17-14-20)18-15-22(27)28/h7-14,16-17H,15,18H2,1-6H3
InChIKey IQVQZMVTQHOQKQ-UHFFFAOYSA-N
Mol Weight 380.5 g/mol
Molecular Formula C24H32N2O2
Exact Mass 380.246378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7v48H3iYrtw
Name 1-(2-Carboxyethyl)-4-[p-(di-n-butylamino)styryl]-pyridinium .beta.ine
CAS Registry Number 90133-95-2
Comments Less than 3 mono-isotopic peaks
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Formula C24H32N2O2
InChI InChI=1S/C24H32N2O2/c1-23(2,3)26(24(4,5)6)21-11-9-19(10-12-21)7-8-20-13-16-25(17-14-20)18-15-22(27)28/h7-14,16-17H,15,18H2,1-6H3
InChIKey IQVQZMVTQHOQKQ-UHFFFAOYSA-N
Molecular Weight 380.532 g/mol
SMILES C([n+]1ccc(\C=C/c2ccc(N(C(C)(C)C)C(C)(C)C)cc2)cc1)CC([O-])=O
SPLASH splash10-066r-0094000000-5e25fd6bebff138733c5
Source of Spectrum J-49-2551-0
Synonyms 3-[4-((Z)-2-{4-[di(tert-butyl)amino]phenyl}ethenyl)-1-pyridiniumyl]propanoate
Wiley ID 1359929