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isothiocyanatoformic acid, ethyl ester

View entire compound with spectra: 3 NMR, 4 FTIR, 1 Raman, and 2 MS (GC)

isothiocyanatoformic acid, ethyl ester
SpectraBase Compound ID 37H5p7gH5wL
InChI InChI=1S/C4H5NO2S/c1-2-7-4(6)5-3-8/h2H2,1H3
InChIKey BDTDECDAHYOJRO-UHFFFAOYSA-N
Mol Weight 131.15 g/mol
Molecular Formula C4H5NO2S
Exact Mass 131.0041 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID hVA5HMB4LL
Name Ethoxycarbonyl isothiocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 196126
CAS Registry Number 16182-04-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H5NO2S
InChI InChI=1S/C4H5NO2S/c1-2-7-4(6)5-3-8/h2H2,1H3
InChIKey BDTDECDAHYOJRO-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Ethyl isothiocyanatoformate
Wiley ID SIAL_13CNMR_002757