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Iodine, bis(4-hydroxy-3-nitrobenzoato-O1)phenyl-
SpectraBase Compound ID B6I9NUSDwYp
InChI InChI=1S/C20H13IN2O10/c24-17-8-6-12(10-15(17)22(28)29)19(26)32-21(14-4-2-1-3-5-14)33-20(27)13-7-9-18(25)16(11-13)23(30)31/h1-11,24-25H
InChIKey DJSBXCUNJGFRRK-UHFFFAOYSA-N
Mol Weight 568.23 g/mol
Molecular Formula C20H13IN2O10
Exact Mass 567.96149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EsqurnxX5x2
Name Iodine, bis(4-hydroxy-3-nitrobenzoato-O1)phenyl-
Alternate Name(s) 4-({[[(4-hydroxy-3-nitrobenzoyl)oxy](phenyl)-lambda(3)-iodanyl]oxy}carbonyl)-2-nitrophenol Benzoic acid, 4-hydroxy-3-nitro-, iodine complex Phenyliodine(III) bis(4-hydroxy-3-nitrobenzoate)
CAS Registry Number 89563-20-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13IN2O10
InChI InChI=1S/C20H13IN2O10/c24-17-8-6-12(10-15(17)22(28)29)19(26)32-21(14-4-2-1-3-5-14)33-20(27)13-7-9-18(25)16(11-13)23(30)31/h1-11,24-25H
InChIKey DJSBXCUNJGFRRK-UHFFFAOYSA-N
Molecular Weight 568.232 g/mol
SMILES Oc1c(cc(C(O[I](OC(c2cc(c(cc2)O)N(=O)=O)=O)c2ccccc2)=O)cc1)N(=O)=O
SPLASH splash10-0udi-0490000000-f05d7ed3c72721a70e27
Source of Spectrum KC-1984-136-0
Wiley ID 1407460