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Isothiocyanic acid, ethyl ester
SpectraBase Compound ID Hn9BhwbqavM
InChI InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3
InChIKey HBNYJWAFDZLWRS-UHFFFAOYSA-N
Mol Weight 87.14 g/mol
Molecular Formula C3H5NS
Exact Mass 87.01427 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GNzF19XfVmp
Name Ethyl isothiocyanate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number E33904
CAS Registry Number 542-85-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C3H5NS
InChI InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3
InChIKey HBNYJWAFDZLWRS-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Ethyl mustard oil
Wiley ID SIAL_13CNMR_011828