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Cyanoacetic acid
SpectraBase Compound ID 66vXuumuB13
InChI InChI=1S/C3H3NO2/c4-2-1-3(5)6/h1H2,(H,5,6)
InChIKey MLIREBYILWEBDM-UHFFFAOYSA-N
Mol Weight 85.062 g/mol
Molecular Formula C3H3NO2
Exact Mass 85.016378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwJtnS3jBUC
Name ACETIC ACID, CYANO-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C3H3NO2
InChI InChI=1S/C3H3NO2/c4-2-1-3(5)6/h1H2,(H,5,6)
InChIKey MLIREBYILWEBDM-UHFFFAOYSA-N
Instrument Name 311A
Molecular Weight 85.0163
SMILES OC(=O)CC#N
SPLASH splash10-0006-9000000000-190972fa7574b38bb609
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany