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1-Acetoxy-2-(N-acetylbenzylamino)-3-benzylthio-propane
SpectraBase Compound ID 2mBbEjZS4Yl
InChI InChI=1S/C21H25NO3S/c1-17(23)22(13-19-9-5-3-6-10-19)21(14-25-18(2)24)16-26-15-20-11-7-4-8-12-20/h3-12,21H,13-16H2,1-2H3
InChIKey DGOXINXVYOENGZ-UHFFFAOYSA-N
Mol Weight 371.5 g/mol
Molecular Formula C21H25NO3S
Exact Mass 371.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HuH8RhOVxdF
Name 1-Acetoxy-2-(N-acetylbenzylamino)-3-benzylthio-propane
Alternate Name(s) 2-[acetyl(benzyl)amino]-3-(benzylsulfanyl)propyl acetate
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Formula C21H25NO3S
InChI InChI=1S/C21H25NO3S/c1-17(23)22(13-19-9-5-3-6-10-19)21(14-25-18(2)24)16-26-15-20-11-7-4-8-12-20/h3-12,21H,13-16H2,1-2H3
InChIKey DGOXINXVYOENGZ-UHFFFAOYSA-N
Molecular Weight 371.495 g/mol
SMILES C(N(C(COC(=O)C)CSCc1ccccc1)Cc1ccccc1)(=O)C
SPLASH splash10-0006-9510000000-894b49533c48d38ce1c0
Source of Spectrum H-60-1688-0
Wiley ID 1354982