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Dibenzo[b,i][1,4,8,11]tetraazacyclotetradecine, 7,16-dibromo-5,14-dihydro-6,8,15,17-tetramethyl-
SpectraBase Compound ID 35dRUJp4S2H
InChI InChI=1S/C22H22Br2N4/c1-13-21(23)14(2)26-19-11-7-8-12-20(19)28-16(4)22(24)15(3)27-18-10-6-5-9-17(18)25-13/h5-12,25,28H,1-4H3/b21-13+,22-16+,26-14-,27-15-
InChIKey PGFPDQWSEWFSMP-DTPSLGLRSA-N
Mol Weight 502.25 g/mol
Molecular Formula C22H22Br2N4
Exact Mass 500.021123 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3A8QFCAfcO
Name Dibenzo[b,i][1,4,8,11]tetraazacyclotetradecine, 7,16-dibromo-5,14-dihydro-6,8,15,17-tetramethyl-
CAS Registry Number 66382-42-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22Br2N4
InChI InChI=1S/C22H22Br2N4/c1-13-21(23)14(2)26-19-11-7-8-12-20(19)28-16(4)22(24)15(3)27-18-10-6-5-9-17(18)25-13/h5-12,25,28H,1-4H3/b21-13+,22-16+,26-14-,27-15-
InChIKey PGFPDQWSEWFSMP-DTPSLGLRSA-N
Molecular Weight 502.254 g/mol
SMILES N1c2c(\N=C/(\C(=C/(Nc3c(\N=C/(\C(=C/1C)Br)C)cccc3)C)Br)C)cccc2
SPLASH splash10-00di-0000910000-ed464f16cc44f019180b
Source of Spectrum Y-17-442-0
Synonyms 6,13-Dibromo-5,7,12,14-tetramethyldibenzo[b,i][1,4,8,11]tetraazacyclotetradecahexaenato nickel II 7,16-dibromo-6,8,15,17-tetramethyl-5,14-dihydrodibenzo[b,i][1,4,8,11]tetraazacyclotetradecine
Wiley ID 1398805