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5-(4'-Acetamidobutyl)-1,5-diazabicyclo[15.4 0]henicosane-6,15-dione
SpectraBase Compound ID zDoogdOWcb
InChI InChI=1S/C25H45N3O3/c1-22(29)26-16-9-11-18-28-20-12-19-27-17-10-8-13-23(27)21-24(30)14-6-4-2-3-5-7-15-25(28)31/h23H,2-21H2,1H3,(H,26,29)
InChIKey XMFROTBCTHCOMO-UHFFFAOYSA-N
Mol Weight 435.7 g/mol
Molecular Formula C25H45N3O3
Exact Mass 435.346092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERJC1WSltWp
Name 5-(4'-Acetamidobutyl)-1,5-diazabicyclo[15.4 0]henicosane-6,15-dione
Alternate Name(s) N-[4-(5,14-dioxooctadecahydropyrido[1,2-e][1,5]diazacycloheptadecin-4(1H)-yl)butyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H45N3O3
InChI InChI=1S/C25H45N3O3/c1-22(29)26-16-9-11-18-28-20-12-19-27-17-10-8-13-23(27)21-24(30)14-6-4-2-3-5-7-15-25(28)31/h23H,2-21H2,1H3,(H,26,29)
InChIKey XMFROTBCTHCOMO-UHFFFAOYSA-N
Molecular Weight 435.653 g/mol
SMILES N(C(=O)C)CCCCN1C(=O)CCCCCCCCC(CC2N(CCC1)CCCC2)=O
SPLASH splash10-00di-9800000000-d3c47d52a4429b8c6e56
Source of Spectrum H-79-979-11
Wiley ID 1383274