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3-(2'-Acetoxyphenyl)-N-[4'-(acetylamino)butyl]-N-[3"-(acetylamino)propyl]propanamide
SpectraBase Compound ID 8hpXTRPSQ7R
InChI InChI=1S/C22H33N3O5/c1-17(26)23-13-6-7-15-25(16-8-14-24-18(2)27)22(29)12-11-20-9-4-5-10-21(20)30-19(3)28/h4-5,9-10H,6-8,11-16H2,1-3H3,(H,23,26)(H,24,27)
InChIKey RJHFUEOZKWQJCU-UHFFFAOYSA-N
Mol Weight 419.5 g/mol
Molecular Formula C22H33N3O5
Exact Mass 419.242021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HD3yRoGXG6t
Name 3-(2'-Acetoxyphenyl)-N-[4'-(acetylamino)butyl]-N-[3"-(acetylamino)propyl]propanamide
Alternate Name(s) 2-(3-{[4-(acetylamino)butyl][3-(acetylamino)propyl]amino}-3-oxopropyl)phenyl acetate 3-(2'-Acetoxyphenyl)-N-[4'-(acetylamino)butyl]-N-[3''-(acetylamino)propyl]propanamide
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Formula C22H33N3O5
InChI InChI=1S/C22H33N3O5/c1-17(26)23-13-6-7-15-25(16-8-14-24-18(2)27)22(29)12-11-20-9-4-5-10-21(20)30-19(3)28/h4-5,9-10H,6-8,11-16H2,1-3H3,(H,23,26)(H,24,27)
InChIKey RJHFUEOZKWQJCU-UHFFFAOYSA-N
Molecular Weight 419.522 g/mol
SMILES N(C(=O)C)CCCN(CCCCNC(=O)C)C(CCc1c(OC(=O)C)cccc1)=O
SPLASH splash10-004i-3952000000-5c174d521f8e0306ff1e
Source of Spectrum H-84-807-7
Wiley ID 847469