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1,5,9-Benzotriazacyclododecine, 1,2,3,4,5,6,7,8,9,10-decahydro-
SpectraBase Compound ID EKz644kIE8x
InChI InChI=1S/C13H21N3/c1-2-6-13-12(5-1)11-15-9-3-7-14-8-4-10-16-13/h1-2,5-6,14-16H,3-4,7-11H2
InChIKey HVANXLIAJWWHAA-UHFFFAOYSA-N
Mol Weight 219.33 g/mol
Molecular Formula C13H21N3
Exact Mass 219.173548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9va7pAZV9oW
Name 1,5,9-Benzotriazacyclododecine, 1,2,3,4,5,6,7,8,9,10-decahydro-
Alternate Name(s) 1,2,3,4,5,6,7,8,9,10-decahydro-1,5,9-benzotriazacyclododecine Benzo[b]-1,5,9-triazacyclododecane
CAS Registry Number 112672-91-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21N3
InChI InChI=1S/C13H21N3/c1-2-6-13-12(5-1)11-15-9-3-7-14-8-4-10-16-13/h1-2,5-6,14-16H,3-4,7-11H2
InChIKey HVANXLIAJWWHAA-UHFFFAOYSA-N
Molecular Weight 219.332 g/mol
SMILES N1CCCNCCCNCc2c1cccc2
SPLASH splash10-0159-1910000000-204804989aa08e830258
Source of Spectrum F-43-1912-8
Wiley ID 1218991