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N-(2-amino-3-methylbenzoyl)pyrrolidine-2-carboxaldehyde diethyl thioacetal
SpectraBase Compound ID 4DUvcUKZYmF
InChI InChI=1S/C17H26N2OS2/c1-4-21-17(22-5-2)14-10-7-11-19(14)16(20)13-9-6-8-12(3)15(13)18/h6,8-9,14,17H,4-5,7,10-11,18H2,1-3H3
InChIKey CCBKWLRXUDTRLS-UHFFFAOYSA-N
Mol Weight 338.53 g/mol
Molecular Formula C17H26N2OS2
Exact Mass 338.148656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBCCrSu1kKY
Name N-(2-amino-3-methylbenzoyl)pyrrolidine-2-carboxaldehyde diethyl thioacetal
CAS Registry Number 105089-69-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26N2OS2
InChI InChI=1S/C17H26N2OS2/c1-4-21-17(22-5-2)14-10-7-11-19(14)16(20)13-9-6-8-12(3)15(13)18/h6,8-9,14,17H,4-5,7,10-11,18H2,1-3H3
InChIKey CCBKWLRXUDTRLS-UHFFFAOYSA-N
Molecular Weight 338.528 g/mol
SMILES Nc1c(C(N2C(C(SCC)SCC)CCC2)=O)cccc1C
SPLASH splash10-001i-0920000000-2e28a16b9d5672c03f20
Source of Spectrum J-52-95-6
Synonyms 2-({2-[bis(ethylsulfanyl)methyl]-1-pyrrolidinyl}carbonyl)-6-methylaniline 2-({2-[bis(ethylsulfanyl)methyl]-1-pyrrolidinyl}carbonyl)-6-methylphenylamine
Wiley ID 1333607