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(2S)-(E,Z)-N-(2-nitrobenzoyl)-4-ethyldenepyrrolidine-2-carboxaldehydro diethyl thioacetal
SpectraBase Compound ID 3hUKvHJW1DM
InChI InChI=1S/C18H24N2O3S2/c1-4-13-11-16(18(24-5-2)25-6-3)19(12-13)17(21)14-9-7-8-10-15(14)20(22)23/h4,7-10,16,18H,5-6,11-12H2,1-3H3/b13-4-
InChIKey XARZXXHJMAWBNF-PQMHYQBVSA-N
Mol Weight 380.52 g/mol
Molecular Formula C18H24N2O3S2
Exact Mass 380.122835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kf60DH6HkQn
Name (2S)-(E,Z)-N-(2-nitrobenzoyl)-4-ethyldenepyrrolidine-2-carboxaldehydro diethyl thioacetal
CAS Registry Number 105089-83-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24N2O3S2
InChI InChI=1S/C18H24N2O3S2/c1-4-13-11-16(18(24-5-2)25-6-3)19(12-13)17(21)14-9-7-8-10-15(14)20(22)23/h4,7-10,16,18H,5-6,11-12H2,1-3H3/b13-4-
InChIKey XARZXXHJMAWBNF-PQMHYQBVSA-N
Molecular Weight 380.521 g/mol
SMILES C(N1C(C(SCC)SCC)C\C(C1)=C\C)(c1c(N(=O)=O)cccc1)=O
SPLASH splash10-0udj-2952000000-4ca8f2cf1f2edf4cc217
Source of Spectrum J-52-96-15
Synonyms (4Z)-2-[bis(ethylsulfanyl)methyl]-4-ethylidene-1-(2-nitrobenzoyl)pyrrolidine
Wiley ID 1359580