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1-(1,4,7,10-tetrazacyclododec-1-yl)-2-octanol

View entire compound with spectra: 1 MS (GC)

1-(1,4,7,10-tetrazacyclododec-1-yl)-2-octanol
SpectraBase Compound ID IbuXD1yIQ6I
InChI InChI=1S/C16H36N4O/c1-2-3-4-5-6-16(21)15-20-13-11-18-9-7-17-8-10-19-12-14-20/h16-19,21H,2-15H2,1H3
InChIKey SQBDLWMFUNUTFI-UHFFFAOYSA-N
Mol Weight 300.5 g/mol
Molecular Formula C16H36N4O
Exact Mass 300.288912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A6V0XKiiQz4
Name 1-(1,4,7,10-tetrazacyclododec-1-yl)-2-octanol
Alternate Name(s) 1-(1,4,7,10-tetrazacyclododec-1-yl)octan-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H36N4O
InChI InChI=1S/C16H36N4O/c1-2-3-4-5-6-16(21)15-20-13-11-18-9-7-17-8-10-19-12-14-20/h16-19,21H,2-15H2,1H3
InChIKey SQBDLWMFUNUTFI-UHFFFAOYSA-N
Molecular Weight 300.491 g/mol
SMILES OC(CN1CCNCCNCCNCC1)CCCCCC
SPLASH splash10-00xr-0940000000-c9cd67b41893e8b24ca0
Source of Spectrum KC-0-1049-8
Wiley ID 830765