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5'-tert-Butoxycarbonyl-1,5-dihydro-3,3'-dimethyl-4-[2-(methylsulfonyloxy)ethyl]-5-oxo-2,2'-pyrromethen-4'-propionic acid-methylester
SpectraBase Compound ID 38EFt82kQ56
InChI InChI=1S/C23H32N2O8S/c1-13-15(8-9-19(26)31-6)20(22(28)33-23(3,4)5)24-17(13)12-18-14(2)16(21(27)25-18)10-11-32-34(7,29)30/h12,24H,8-11H2,1-7H3,(H,25,27)
InChIKey YBYVIHKCOQYJPJ-UHFFFAOYSA-N
Mol Weight 496.6 g/mol
Molecular Formula C23H32N2O8S
Exact Mass 496.187937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4CBQXUVyipa
Name 5'-tert-Butoxycarbonyl-1,5-dihydro-3,3'-dimethyl-4-[2-(methylsulfonyloxy)ethyl]-5-oxo-2,2'-pyrromethen-4'-propionic acid-methylester
Alternate Name(s) tert-Butyl 3-(3-methoxy-3-oxopropyl)-4-methyl-5-((3-methyl-4-(2-((methylsulfonyl)oxy)ethyl)-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl)-1H-pyrrole-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32N2O8S
InChI InChI=1S/C23H32N2O8S/c1-13-15(8-9-19(26)31-6)20(22(28)33-23(3,4)5)24-17(13)12-18-14(2)16(21(27)25-18)10-11-32-34(7,29)30/h12,24H,8-11H2,1-7H3,(H,25,27)
InChIKey YBYVIHKCOQYJPJ-UHFFFAOYSA-N
Molecular Weight 496.575 g/mol
SMILES N1C(=Cc2[nH]c(c(c2C)CCC(OC)=O)C(OC(C)(C)C)=O)C(=C(C1=O)CCOS(C)(=O)=O)C
SPLASH splash10-0006-0009700000-a727a582e786e8aeaed8
Source of Spectrum K-113-1607-3b
Wiley ID 1794395