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(2S)-N-(2-aminobenzoyl)pyrrolidine-2-carboxaldehyde diethyl thioacetal
SpectraBase Compound ID 8o7x6PLAeoF
InChI InChI=1S/C16H24N2OS2/c1-3-20-16(21-4-2)14-10-7-11-18(14)15(19)12-8-5-6-9-13(12)17/h5-6,8-9,14,16H,3-4,7,10-11,17H2,1-2H3/t14-/m0/s1
InChIKey LBSDUZINLPHDGJ-AWEZNQCLSA-N
Mol Weight 324.5 g/mol
Molecular Formula C16H24N2OS2
Exact Mass 324.133006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9wdXKr0ZCD
Name (2S)-N-(2-aminobenzoyl)pyrrolidine-2-carboxaldehyde diethyl thioacetal
CAS Registry Number 105089-66-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24N2OS2
InChI InChI=1S/C16H24N2OS2/c1-3-20-16(21-4-2)14-10-7-11-18(14)15(19)12-8-5-6-9-13(12)17/h5-6,8-9,14,16H,3-4,7,10-11,17H2,1-2H3/t14-/m0/s1
InChIKey LBSDUZINLPHDGJ-AWEZNQCLSA-N
Molecular Weight 324.501 g/mol
SMILES Nc1c(C(N2[C@](C(SCC)SCC)(CCC2)[H])=O)cccc1
SPLASH splash10-00di-2900000000-cf32ace38b8839df76f5
Source of Spectrum J-52-95-6
Synonyms 2-({(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidinyl}carbonyl)aniline 2-({(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidinyl}carbonyl)phenylamine
Wiley ID 1323047