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2-Isocyanoacetic acid, ethyl ester
SpectraBase Compound ID 5QgfMUiLNQS
InChI InChI=1S/C5H8NO2/c1-3-8-5(7)4-6-2/h2H,3-4H2,1H3
InChIKey QQJQVUOUZSAJNI-UHFFFAOYSA-N
Mol Weight 114.12 g/mol
Molecular Formula C5H8NO2
Exact Mass 114.055503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41DyxgDH5k
Name 2-isocyanoacetic acid ethyl ester
Alternate Name(s) Ethyl isocyanoacetate Acetic acid, isocyano-, ethyl ester Ethyl 2-isocyanoacetate Ethyl 2-isocyanoethanoate
CAS Registry Number 2999-46-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H7NO2
InChI InChI=1S/C5H8NO2/c1-3-8-5(7)4-6-2/h2H,3-4H2,1H3
InChIKey QQJQVUOUZSAJNI-UHFFFAOYSA-N
Molecular Weight 114.124 g/mol
SMILES C#[N]CC(OCC)=O
SPLASH splash10-056r-9000000000-727b189afc0f770c84cf
Source of Spectrum NP-0-3708-0
Wiley ID 1095463