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Methyl 4-iodobenzoate
SpectraBase Compound ID A6yJGFlght5
InChI InChI=1S/C8H7IO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChIKey DYUWQWMXZHDZOR-UHFFFAOYSA-N
Mol Weight 262.05 g/mol
Molecular Formula C8H7IO2
Exact Mass 261.949074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rvENttN8Nu
Name 4-Iodo-benzoic acid, methyl ester
Alternate Name(s) Benzoic acid, 4-iodo-, methyl ester 4-iodobenzoic acid methyl ester Benzoic acid, p-iodo-, methyl ester Methyl 4-iodanylbenzoate Methyl 4-iodobenzoate Methyl p-iodobenzoate EINECS 210-597-1 NSC 9393
CAS Registry Number 619-44-3
Comments Edited after expert review for air contamination - Original record with SpectrumID 467637 moved to the Legacy library
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Formula C8H7IO2
InChI InChI=1S/C8H7IO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChIKey DYUWQWMXZHDZOR-UHFFFAOYSA-N
Molecular Weight 262.046 g/mol
SMILES c1(I)ccc(cc1)C(=O)OC
SPLASH splash10-03e9-3090000000-68958c632ec2449323b6
Source of Spectrum CM-1999-5283-0
Wiley ID 1820891