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N-[4-(2'-Methoxycarbonylethoxy)-5-methoxy-2-nitrobenzoyl]-pyrrolidin-2-carbaldehyde Diethyl Thioacetal
SpectraBase Compound ID 1v5KJ1vEIot
InChI InChI=1S/C21H30N2O7S2/c1-5-31-21(32-6-2)15-8-7-10-22(15)20(25)14-12-17(28-3)18(13-16(14)23(26)27)30-11-9-19(24)29-4/h12-13,15,21H,5-11H2,1-4H3
InChIKey WYVOAWDAULSVTK-UHFFFAOYSA-N
Mol Weight 486.6 g/mol
Molecular Formula C21H30N2O7S2
Exact Mass 486.149444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CVGZmCD5k20
Name N-[4-(2'-Methoxycarbonylethoxy)-5-methoxy-2-nitrobenzoyl]-pyrrolidin-2-carbaldehyde Diethyl Thioacetal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30N2O7S2
InChI InChI=1S/C21H30N2O7S2/c1-5-31-21(32-6-2)15-8-7-10-22(15)20(25)14-12-17(28-3)18(13-16(14)23(26)27)30-11-9-19(24)29-4/h12-13,15,21H,5-11H2,1-4H3
InChIKey WYVOAWDAULSVTK-UHFFFAOYSA-N
Molecular Weight 486.598 g/mol
SMILES c1(C(N2C(C(SCC)SCC)CCC2)=O)c(N(=O)=O)cc(c(c1)OC)OCCC(=O)OC
SPLASH splash10-001i-4093000000-5bfeac5f481b165f8cc8
Source of Spectrum F2-42-1958-14
Synonyms Methyl 3-[4-({2-[bis(ethylsulfanyl)methyl]-1-pyrrolidinyl}carbonyl)-2-methoxy-5-nitrophenoxy]propanoate
Wiley ID 1600177