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N-(3-methyl-2-nitrobenzoyl)pyrrolidine-2-carboxaldehyde diethyl thioacetal
SpectraBase Compound ID GmETGD0ledM
InChI InChI=1S/C17H24N2O3S2/c1-4-23-17(24-5-2)14-10-7-11-18(14)16(20)13-9-6-8-12(3)15(13)19(21)22/h6,8-9,14,17H,4-5,7,10-11H2,1-3H3
InChIKey KLMYCUVWZAIIHW-UHFFFAOYSA-N
Mol Weight 368.51 g/mol
Molecular Formula C17H24N2O3S2
Exact Mass 368.122835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Rk0wYIxtdd
Name N-(3-methyl-2-nitrobenzoyl)pyrrolidine-2-carboxaldehyde diethyl thioacetal
CAS Registry Number 105089-68-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24N2O3S2
InChI InChI=1S/C17H24N2O3S2/c1-4-23-17(24-5-2)14-10-7-11-18(14)16(20)13-9-6-8-12(3)15(13)19(21)22/h6,8-9,14,17H,4-5,7,10-11H2,1-3H3
InChIKey KLMYCUVWZAIIHW-UHFFFAOYSA-N
Molecular Weight 368.510 g/mol
SMILES C(c1c(N(=O)=O)c(C)ccc1)(N1C(C(SCC)SCC)CCC1)=O
SPLASH splash10-03e9-1941000000-50c3b15d04a864b12423
Source of Spectrum J-52-95-5
Synonyms 2-[bis(ethylsulfanyl)methyl]-1-(3-methyl-2-nitrobenzoyl)pyrrolidine
Wiley ID 1352853