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Ethyl isothiocyanatoacetate

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

Ethyl isothiocyanatoacetate
SpectraBase Compound ID LNts5zGjqHl
InChI InChI=1S/C5H7NO2S/c1-2-8-5(7)3-6-4-9/h2-3H2,1H3
InChIKey IYPSSPPKMLXXRN-UHFFFAOYSA-N
Mol Weight 145.18 g/mol
Molecular Formula C5H7NO2S
Exact Mass 145.01975 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7eswfaXXZSX
Name Ethyl isothiocyanatoacetate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 279692
CAS Registry Number 24066-82-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H7NO2S
InChI InChI=1S/C5H7NO2S/c1-2-8-5(7)3-6-4-9/h2-3H2,1H3
InChIKey IYPSSPPKMLXXRN-UHFFFAOYSA-N
Observed nucleus 1H
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_005125