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(+-)-Phenyl 4,6-dimethyl-2-[1-(phenylethyl)amino]pyridine-3-sulfonate
SpectraBase Compound ID JE9H92i7j5J
InChI InChI=1S/C21H22N2O3S/c1-15-14-16(2)22-21(23-17(3)18-10-6-4-7-11-18)20(15)27(24,25)26-19-12-8-5-9-13-19/h4-14,17H,1-3H3,(H,22,23)
InChIKey VPDZWXDIZCREPC-UHFFFAOYSA-N
Mol Weight 382.48 g/mol
Molecular Formula C21H22N2O3S
Exact Mass 382.135114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LipxSloDREZ
Name (+-)-Phenyl 4,6-dimethyl-2-[1-(phenylethyl)amino]pyridine-3-sulfonate
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Formula C21H22N2O3S
InChI InChI=1S/C21H22N2O3S/c1-15-14-16(2)22-21(23-17(3)18-10-6-4-7-11-18)20(15)27(24,25)26-19-12-8-5-9-13-19/h4-14,17H,1-3H3,(H,22,23)
InChIKey VPDZWXDIZCREPC-UHFFFAOYSA-N
Molecular Weight 382.478 g/mol
SMILES N(c1c(S(Oc2ccccc2)(=O)=O)c(cc(C)n1)C)C(c1ccccc1)C
SPLASH splash10-0aor-0709000000-238ed96da867e44f2f94
Source of Spectrum CV-2003-1608-16
Synonyms phenyl 4,6-dimethyl-2-[(1-phenylethyl)amino]-3-pyridinesulfonate
Wiley ID 1611198