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p-Phenylenebis[1,1',3,3'-tetramethyl-2,2'-di(n-heptyl)pyrimidiniumolate]
SpectraBase Compound ID LgIv1mIBIOK
InChI InChI=1S/C32H46N4O4/c1-7-9-11-13-15-17-25-33(3)29(37)27(30(38)34(25)4)23-19-21-24(22-20-23)28-31(39)35(5)26(36(6)32(28)40)18-16-14-12-10-8-2/h19-22H,7-18H2,1-6H3
InChIKey UCBZIMVMQWPVGP-UHFFFAOYSA-N
Mol Weight 550.7 g/mol
Molecular Formula C32H46N4O4
Exact Mass 550.351906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FLQzTuzSt9H
Name p-Phenylenebis[1,1',3,3'-tetramethyl-2,2'-di(n-heptyl)pyrimidiniumolate]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H46N4O4
InChI InChI=1S/C32H46N4O4/c1-7-9-11-13-15-17-25-33(3)29(37)27(30(38)34(25)4)23-19-21-24(22-20-23)28-31(39)35(5)26(36(6)32(28)40)18-16-14-12-10-8-2/h19-22H,7-18H2,1-6H3
InChIKey UCBZIMVMQWPVGP-UHFFFAOYSA-N
Molecular Weight 550.744 g/mol
SMILES C=1([N+](=C(N(C(C1c1ccc(C2=C([N+](C)=C(N(C2=O)C)CCCCCCC)[O-])cc1)=O)C)CCCCCCC)C)[O-]
SPLASH splash10-0i0r-9501100000-ecc2cfba493f6735c000
Source of Spectrum F-52-5483-8
Wiley ID 796297