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Methyl 3-nitro[2,4,5,6-2H4]benzoate
SpectraBase Compound ID HejjH0QvwIO
InChI InChI=1S/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3/i2D,3D,4D,5D
InChIKey AXLYJLKKPUICKV-QFFDRWTDSA-N
Mol Weight 185.17 g/mol
Molecular Formula C8H3D4NO4
Exact Mass 185.062615 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GxG6ncPC48K
Name Methyl 3-nitro[2,4,5,6-2H4]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H3D4NO4
InChI InChI=1S/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3/i2D,3D,4D,5D
InChIKey AXLYJLKKPUICKV-QFFDRWTDSA-N
Literature Reference DOI 10.1002/rcm.2582
Molecular Weight 185.171 g/mol
SMILES C(c1c(c(c(c(c1[D])[D])[D])[N+](=O)[O-])[D])(=O)OC
SPLASH splash10-0udi-4900000000-0d896aa4ac206f23f309
Source of Spectrum RCM-20-2267-2267_1
Synonyms Methyl 3-nitrobenzoate-2,4,5,6-d4
Wiley ID 1820366