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Tetrabenzo[b,d,h,j][1,6]diazacyclododecine, 3,6-dimethoxy-
SpectraBase Compound ID LABp7t1ALhi
InChI InChI=1S/C28H22N2O2/c1-31-21-11-13-27-25(15-21)26-16-22(32-2)12-14-28(26)30-18-20-8-4-6-10-24(20)23-9-5-3-7-19(23)17-29-27/h3-18H,1-2H3/b19-17-,20-18-,24-23-,26-25-,29-17-,29-27-,30-18-,30-28-
InChIKey BWIOYDYRDVHMHT-SGPIDQMQSA-N
Mol Weight 418.5 g/mol
Molecular Formula C28H22N2O2
Exact Mass 418.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GybHRchiC
Name Tetrabenzo[b,d,h,j][1,6]diazacyclododecine, 3,6-dimethoxy-
Alternate Name(s) 3,6-Dimethoxytetrabenzo[b,d,h,j][1,6]diazacyclododecine 3,6-Dimethoxytetrabenzo[b,d,H,j][1,6]diazacyclododecyne
CAS Registry Number 74199-64-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22N2O2
InChI InChI=1S/C28H22N2O2/c1-31-21-11-13-27-25(15-21)26-16-22(32-2)12-14-28(26)30-18-20-8-4-6-10-24(20)23-9-5-3-7-19(23)17-29-27/h3-18H,1-2H3/b19-17-,20-18-,24-23-,26-25-,29-17-,29-27-,30-18-,30-28-
InChIKey BWIOYDYRDVHMHT-SGPIDQMQSA-N
Molecular Weight 418.496 g/mol
SMILES c12\N=C/c3c(-c4c(\C=N/c5c(-c2cc(cc1)OC)cc(cc5)OC)cccc4)cccc3
SPLASH splash10-014l-1481900000-2a9c8da53b031f36efd3
Source of Spectrum O-16-124-2
Wiley ID 1377470