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Ethyl 4-[1,3-Bis(ethoxycarbonyl)-2-azulenylamino]-2,3-dimethyl-2-butene-1-sulfinate
SpectraBase Compound ID 6Id6xR4oCFJ
InChI InChI=1S/C24H31NO6S/c1-6-29-23(26)20-18-12-10-9-11-13-19(18)21(24(27)30-7-2)22(20)25-14-16(4)17(5)15-32(28)31-8-3/h9-13,25H,6-8,14-15H2,1-5H3/b17-16+
InChIKey JNWOGWDDOQMWSB-WUKNDPDISA-N
Mol Weight 461.57 g/mol
Molecular Formula C24H31NO6S
Exact Mass 461.187209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2OcxPapR1E
Name Ethyl 4-[1,3-Bis(ethoxycarbonyl)-2-azulenylamino]-2,3-dimethyl-2-butene-1-sulfinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31NO6S
InChI InChI=1S/C24H31NO6S/c1-6-29-23(26)20-18-12-10-9-11-13-19(18)21(24(27)30-7-2)22(20)25-14-16(4)17(5)15-32(28)31-8-3/h9-13,25H,6-8,14-15H2,1-5H3/b17-16+
InChIKey JNWOGWDDOQMWSB-WUKNDPDISA-N
Molecular Weight 461.573 g/mol
SMILES N(c1c(C(=O)OCC)c2c(c1C(=O)OCC)ccccc2)C\C(=C\(CS(=O)OCC)C)C
SPLASH splash10-016r-0049000000-6f7db7e47014397cfb22
Source of Spectrum F-59-4657-15
Wiley ID 1678161