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1,4-Diisopropyl-7-benzyl-1,4,7-triazacyclononane

View entire compound with spectra: 1 MS (GC)

1,4-Diisopropyl-7-benzyl-1,4,7-triazacyclononane
SpectraBase Compound ID IPL3j3S5rWI
InChI InChI=1S/C19H33N3/c1-17(2)21-12-10-20(16-19-8-6-5-7-9-19)11-13-22(15-14-21)18(3)4/h5-9,17-18H,10-16H2,1-4H3
InChIKey VNOGGUSPLKIDSW-UHFFFAOYSA-N
Mol Weight 303.5 g/mol
Molecular Formula C19H33N3
Exact Mass 303.267448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EcILL5u0tgM
Name 1,4-Diisopropyl-7-benzyl-1,4,7-triazacyclononane
Alternate Name(s) 1-benzyl-4,7-diisopropyloctahydro-1H-1,4,7-triazonine 1-benzyl-4,7-di(propan-2-yl)-1,4,7-triazonane 1-(phenylmethyl)-4,7-di(propan-2-yl)-1,4,7-triazonane
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H33N3
InChI InChI=1S/C19H33N3/c1-17(2)21-12-10-20(16-19-8-6-5-7-9-19)11-13-22(15-14-21)18(3)4/h5-9,17-18H,10-16H2,1-4H3
InChIKey VNOGGUSPLKIDSW-UHFFFAOYSA-N
Molecular Weight 303.494 g/mol
SMILES C1N(CCN(CCN(C1)C(C)C)Cc1ccccc1)C(C)C
SPLASH splash10-0006-9000000000-d94237212845fffb2379
Source of Spectrum C-118-11585-0
Wiley ID 760081