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Methyl 5-(4-iodoanilino)-5-oxopentanoate
SpectraBase Compound ID 9X72cmbRXhn
InChI InChI=1S/C12H14INO3/c1-17-12(16)4-2-3-11(15)14-10-7-5-9(13)6-8-10/h5-8H,2-4H2,1H3,(H,14,15)
InChIKey DTCMDKAJEJWAAU-UHFFFAOYSA-N
Mol Weight 347.15 g/mol
Molecular Formula C12H14INO3
Exact Mass 347.001838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6UyQZDamSOR
Name Methyl 5-(4-iodoanilino)-5-oxopentanoate
Alternate Name(s) 5-(4-iodoanilino)-5-keto-valeric acid methyl ester 5-(4-iodoanilino)-5-oxopentanoic acid methyl ester Glutaric acid monoamide, N-(4-iodophenyl)-, methyl ester Methyl 5-[(4-iodophenyl)amino]-5-oxidanylidene-pentanoate
CAS Registry Number 331867-02-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14INO3
InChI InChI=1S/C12H14INO3/c1-17-12(16)4-2-3-11(15)14-10-7-5-9(13)6-8-10/h5-8H,2-4H2,1H3,(H,14,15)
InChIKey DTCMDKAJEJWAAU-UHFFFAOYSA-N
Molecular Weight 347.152 g/mol
SMILES N(C(=O)CCCC(=O)OC)c1ccc(cc1)I
SPLASH splash10-014i-5296000000-7f15d064c278b4bd1347
Source of Spectrum AD-0-2532-0
Wiley ID 1421331