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2-(Diphenylcarbamoyl)-3-isopropylnaphtho[2,1-b]pyrylium- perchlorate
SpectraBase Compound ID Gwrq7kda7Oq
InChI InChI=1S/C29H24NO2.ClHO4/c1-20(2)28-26(19-25-24-16-10-9-11-21(24)17-18-27(25)32-28)29(31)30(22-12-5-3-6-13-22)23-14-7-4-8-15-23;2-1(3,4)5/h3-20H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKey XLDDWJGZQHKHDA-UHFFFAOYSA-M
Mol Weight 517.97 g/mol
Molecular Formula C29H24ClNO6
Exact Mass 517.129215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JjtKwl4OzU5
Name 2-(Diphenylcarbamoyl)-3-isopropylnaphtho[2,1-b]pyrylium- perchlorate
Alternate Name(s) 2-[(diphenylamino)carbonyl]-3-isopropylbenzo[f]chromenium perchlorate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H24ClNO6
InChI InChI=1S/C29H24NO2.ClHO4/c1-20(2)28-26(19-25-24-16-10-9-11-21(24)17-18-27(25)32-28)29(31)30(22-12-5-3-6-13-22)23-14-7-4-8-15-23;2-1(3,4)5/h3-20H,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChIKey XLDDWJGZQHKHDA-UHFFFAOYSA-M
Molecular Weight 517.965 g/mol
SMILES [Cl]([O-])(=O)(=O)=O.c1(C(N(c2ccccc2)c2ccccc2)=O)c([o+]c2ccc3c(c2c1)cccc3)C(C)C
SPLASH splash10-00di-0009300000-a8bb2eb01d857b851940
Source of Spectrum K-126-834-39
Wiley ID 1401564