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Diethyl 5'-(3,3-diethyltriaza-1'-enyl)-1,1' : 3',1'-terphenyl-3,3'-dicarboxylate
SpectraBase Compound ID 1Nx4uP0qF14
InChI InChI=1S/C28H31N3O4/c1-5-31(6-2)30-29-26-18-24(20-11-9-13-22(15-20)27(32)34-7-3)17-25(19-26)21-12-10-14-23(16-21)28(33)35-8-4/h9-19H,5-8H2,1-4H3/b30-29+
InChIKey PFRVAVCBZXNJIZ-QVIHXGFCSA-N
Mol Weight 473.57 g/mol
Molecular Formula C28H31N3O4
Exact Mass 473.231456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAux4Dw8EuH
Name Diethyl 5'-(3,3-diethyltriaza-1'-enyl)-1,1' : 3',1'-terphenyl-3,3'-dicarboxylate
Alternate Name(s) Ethyl 3-{3-[(1E)-3,3-diethyltriaz-1-en-1-yl]-5-[3-(ethoxycarbonyl)phenyl]phenyl}benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H31N3O4
InChI InChI=1S/C28H31N3O4/c1-5-31(6-2)30-29-26-18-24(20-11-9-13-22(15-20)27(32)34-7-3)17-25(19-26)21-12-10-14-23(16-21)28(33)35-8-4/h9-19H,5-8H2,1-4H3/b30-29+
InChIKey PFRVAVCBZXNJIZ-QVIHXGFCSA-N
Molecular Weight 473.573 g/mol
SMILES c1(\N=N\N(CC)CC)cc(-c2cc(C(=O)OCC)ccc2)cc(c1)-c1cc(C(=O)OCC)ccc1
SPLASH splash10-00di-0029100000-d202572316950ccfaa9d
Source of Spectrum H-86-559-19
Wiley ID 1525297