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Methyl 3-iodo[2,4,5,6-2H4]benzoate
SpectraBase Compound ID GN8p0meWCJv
InChI InChI=1S/C8H7IO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3/i2D,3D,4D,5D
InChIKey NPXOIGSBRLCOSD-QFFDRWTDSA-N
Mol Weight 266.07 g/mol
Molecular Formula C8H3D4IO2
Exact Mass 265.974181 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AhscSJ4uJsJ
Name Methyl 3-iodo[2,4,5,6-2H4]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H3D4IO2
InChI InChI=1S/C8H7IO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3/i2D,3D,4D,5D
InChIKey NPXOIGSBRLCOSD-QFFDRWTDSA-N
Literature Reference DOI 10.1002/rcm.2582
Molecular Weight 266.071 g/mol
SMILES C(c1c(c(c(c(c1[D])[D])[D])I)[D])(=O)OC
SPLASH splash10-0fs9-5090000000-001689e6fd1eb5425c45
Source of Spectrum RCM-20-2267-2267_3
Synonyms Methyl 3-iodobenzoate-2,4,5,6-d4
Wiley ID 1820367