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Benzoic acid, 2-(methyl-D3-amino)-, methyl ester
SpectraBase Compound ID 5GdTBp5kMvl
InChI InChI=1S/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H3/i1D3
InChIKey GVOWHGSUZUUUDR-FIBGUPNXSA-N
Mol Weight 168.21 g/mol
Molecular Formula C9H8D3NO2
Exact Mass 168.097809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5yKuPCDXbVQ
Name Benzoic acid, 2-(methyl-D3-amino)-, methyl ester
CAS Registry Number 42067-38-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8D3NO2
InChI InChI=1S/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H3/i1D3
InChIKey GVOWHGSUZUUUDR-FIBGUPNXSA-N
Molecular Weight 168.210 g/mol
SMILES N(c1c(C(=O)OC)cccc1)C([D])([D])[D]
SPLASH splash10-0aor-3900000000-6349d4393358ab8e3770
Source of Spectrum O-7-631-5
Synonyms Methyl O-N-trideuteriomethylamino-benzoic acid
Wiley ID 1161541