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6-(Anthracen-9-ylmethyl)-1,.4,8,11-tetraazacyclotetradecane-5,17-dione
SpectraBase Compound ID 6dZKkifwsN5
InChI InChI=1S/C25H30N4O2/c30-24-23(25(31)29-15-13-27-11-5-10-26-12-14-28-24)17-22-20-8-3-1-6-18(20)16-19-7-2-4-9-21(19)22/h1-4,6-9,16,23,26-27H,5,10-15,17H2,(H,28,30)(H,29,31)
InChIKey WMEKURVDALRYNP-UHFFFAOYSA-N
Mol Weight 418.54 g/mol
Molecular Formula C25H30N4O2
Exact Mass 418.236876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3f1ZIpKCuiB
Name 6-(Anthracen-9-ylmethyl)-1,.4,8,11-tetraazacyclotetradecane-5,17-dione
Alternate Name(s) 6-(9-anthrylmethyl)-1,4,8,11-tetraazacyclotetradecane-5,7-dione 6-(9-anthracenylmethyl)-1,4,8,11-tetrazacyclotetradecane-5,7-dione 6-(9-anthrylmethyl)-1,4,8,11-tetrazacyclotetradecane-5,7-dione 6-(anthracen-9-ylmethyl)-1,4,8,11-tetrazacyclotetradecane-5,7-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30N4O2
InChI InChI=1S/C25H30N4O2/c30-24-23(25(31)29-15-13-27-11-5-10-26-12-14-28-24)17-22-20-8-3-1-6-18(20)16-19-7-2-4-9-21(19)22/h1-4,6-9,16,23,26-27H,5,10-15,17H2,(H,28,30)(H,29,31)
InChIKey WMEKURVDALRYNP-UHFFFAOYSA-N
Molecular Weight 418.541 g/mol
SMILES N1CCNCCCNCCNC(C(Cc2c3c(cccc3)cc3c2cccc3)C1=O)=O
SPLASH splash10-0006-0900300000-db94b2d2f0ae9259256a
Source of Spectrum QE-2-81-2
Wiley ID 842541