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2-[3',4'-Dimethoxyphenyl]-(1-13C)-acetonitrile
SpectraBase Compound ID c6usyuprUH
InChI InChI=1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3/i6+1
InChIKey ASLSUMISAQDOOB-PTQBSOBMSA-N
Mol Weight 178.2 g/mol
Molecular Formula C913CH11NO2
Exact Mass 178.082333 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8zVjQ5Vm4Z
Name 2-[3',4'-Dimethoxyphenyl]-(1-13C)-acetonitrile
Comments Original formula: C9[13C]H11NO2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11NO2
InChI InChI=1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3/i6+1
InChIKey ASLSUMISAQDOOB-PTQBSOBMSA-N
Molecular Weight 178.195 g/mol
SMILES C([13C]#N)c1cc(OC)c(cc1)OC
SPLASH splash10-01t9-0900000000-fa998ee8b5b341d19fef
Source of Spectrum U-1994-566-0
Wiley ID 765763