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Tetrabenzo[b,d,h,j][1,6]diazacyclododecine-4,5-dicarboxylic acid, dimethyl ester
SpectraBase Compound ID ANnAv9eknFF
InChI InChI=1S/C30H22N2O4/c1-35-29(33)23-13-7-15-25-27(23)28-24(30(34)36-2)14-8-16-26(28)32-18-20-10-4-6-12-22(20)21-11-5-3-9-19(21)17-31-25/h3-18H,1-2H3/b19-17-,20-18-,22-21-,28-27-,31-17-,31-25-,32-18-,32-26-
InChIKey QRYKMRRRKGFLCM-GICRHWGOSA-N
Mol Weight 474.52 g/mol
Molecular Formula C30H22N2O4
Exact Mass 474.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FJnfJaDcwyC
Name Tetrabenzo[b,d,h,j][1,6]diazacyclododecine-4,5-dicarboxylic acid, dimethyl ester
CAS Registry Number 74199-66-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H22N2O4
InChI InChI=1S/C30H22N2O4/c1-35-29(33)23-13-7-15-25-27(23)28-24(30(34)36-2)14-8-16-26(28)32-18-20-10-4-6-12-22(20)21-11-5-3-9-19(21)17-31-25/h3-18H,1-2H3/b19-17-,20-18-,22-21-,28-27-,31-17-,31-25-,32-18-,32-26-
InChIKey QRYKMRRRKGFLCM-GICRHWGOSA-N
Molecular Weight 474.516 g/mol
SMILES c12-c3c(C(=O)OC)cccc3\N=C/c3ccccc3-c3c(\C=N/c2cccc1C(=O)OC)cccc3
SPLASH splash10-00xu-0625900000-bbfb69f781d676f862a5
Source of Spectrum O-16-124-4
Synonyms Dimethyl tetrabenzo(b,d,H,j)(1,6)-diazacyclododecine-4,5-dicarboxylate
Wiley ID 1393991