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Isocyano-acetic acid, ethyl ester

Compound with spectra: 4 NMR, 3 FTIR, and 3 MS (GC)

Isocyano-acetic acid, ethyl ester
SpectraBase Compound ID 619qrDuLkaQ
InChI InChI=1S/C5H7NO2/c1-3-8-5(7)4-6-2/h3-4H2,1H3
InChIKey FPULFENIJDPZBX-UHFFFAOYSA-N
Mol Weight 113.12 g/mol
Molecular Formula C5H7NO2
Exact Mass 113.047678 g/mol

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MS (GC) Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum NP-0-3708-0

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MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.

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13C NMR Spectrum
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Fluka AG, Buchs, Switzerland
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20

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13C NMR Spectrum
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Solvent CDCl3

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13C NMR Spectrum
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 226319
Solvent CDCl3

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ATR-IR Spectrum
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Catalog Number 226319

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1H NMR Spectrum
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 226319
Solvent CDCl3

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FTIR Spectrum
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 226319
Technique Neat

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Vapor Phase IR Spectrum
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Sigma-Aldrich Co. LLC.
Source of Spectrum Sigma-Aldrich Co. LLC.
Catalog Number 226319
  • Acetic acid, isocyano-, ethyl ester
  • Ethylisocyanoacetate
  • 2-Isocyanoacetic acid, ethyl ester
  • Ethyl 2-isocyanoacetate
  • Ethyl 2-isocyanoethanoate
(2-ethoxy-2-keto-ethyl)-methylidyne-ammonium
ISOCYANOACETIC ACID, METHYL ESTER
(2-keto-2-methoxy-ethyl)-methylidyne-ammonium
Glycinium ethyl ester cation
Glycine ethylester
But-3-enyl isocyanoacetate
Acetic acid, hydrazino-, ethyl ester
Hydrazino-acetic acid, ethyl ester cation
Glycolic acid, ethyl ester
ISOCYANOACETIC ACID, tert-BUTYL ESTER
Ethylisocyanoacetate
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Unknown Identification

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