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2-(2-Benzoylmercapto-acetylamino)-6-hexanoylaminopyridine
SpectraBase Compound ID CENRXQJW0St
InChI InChI=1S/C20H23N3O3S/c1-2-3-5-13-18(24)22-16-11-8-12-17(21-16)23-19(25)14-27-20(26)15-9-6-4-7-10-15/h4,6-12H,2-3,5,13-14H2,1H3,(H2,21,22,23,24,25)
InChIKey LOWGHSJRCDGHFJ-UHFFFAOYSA-N
Mol Weight 385.48 g/mol
Molecular Formula C20H23N3O3S
Exact Mass 385.146013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HlwbmyYTBEx
Name 2-(2-Benzoylmercapto-acetylamino)-6-hexanoylaminopyridine
Alternate Name(s) S-(2-{[6-(hexanoylamino)-2-pyridinyl]amino}-2-oxoethyl) benzenecarbothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23N3O3S
InChI InChI=1S/C20H23N3O3S/c1-2-3-5-13-18(24)22-16-11-8-12-17(21-16)23-19(25)14-27-20(26)15-9-6-4-7-10-15/h4,6-12H,2-3,5,13-14H2,1H3,(H2,21,22,23,24,25)
InChIKey LOWGHSJRCDGHFJ-UHFFFAOYSA-N
Molecular Weight 385.482 g/mol
SMILES N(c1nc(ccc1)NC(=O)CSC(=O)c1ccccc1)C(=O)CCCCC
SPLASH splash10-053r-1972000000-d704b4995ec1478493af
Source of Spectrum F-51-445-0
Wiley ID 790633