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7-(2-hydroxybutyl)-1,4,7,10-tetrazacyclododecane-1-carbaldehyde

View entire compound with spectra: 1 MS (GC)

7-(2-hydroxybutyl)-1,4,7,10-tetrazacyclododecane-1-carbaldehyde
SpectraBase Compound ID 6AREDxtGgmw
InChI InChI=1S/C13H28N4O2/c1-2-13(19)11-16-7-3-14-5-9-17(12-18)10-6-15-4-8-16/h12-15,19H,2-11H2,1H3
InChIKey SNAFLSKCRWODPG-UHFFFAOYSA-N
Mol Weight 272.39 g/mol
Molecular Formula C13H28N4O2
Exact Mass 272.221226 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HGjxEAT4Gl
Name 7-(2-hydroxybutyl)-1,4,7,10-tetrazacyclododecane-1-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H28N4O2
InChI InChI=1S/C13H28N4O2/c1-2-13(19)11-16-7-3-14-5-9-17(12-18)10-6-15-4-8-16/h12-15,19H,2-11H2,1H3
InChIKey SNAFLSKCRWODPG-UHFFFAOYSA-N
Molecular Weight 272.393 g/mol
SMILES N1CCN(CC(O)CC)CCNCCN(C=O)CC1
SPLASH splash10-014i-0900000000-8ae57dea4ee61dd63f0c
Source of Spectrum KC-0-1048-7
Synonyms 7-(2-hydroxybutyl)-1,4,7,10-tetrazacyclododecane-1-carboxaldehyde 7-(2-oxidanylbutyl)-1,4,7,10-tetrazacyclododecane-1-carbaldehyde
Wiley ID 830771