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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E9RQzt9w5V7
Name Ethane, isothiocyanato-
Alternate Name(s) 1-Isothiocyanatoethane Ethyl isothiocyanate Ethyl mustard oil Isothiocyanatoethane Isothiocyanic acid, ethyl ester AI3-18428 CCRIS 7323 EINECS 208-831-2 NSC 84212
CAS Registry Number 542-85-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C3H5NS
InChI InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3
InChIKey HBNYJWAFDZLWRS-UHFFFAOYSA-N
Molecular Weight 87.140 g/mol
SMILES C(N=C=S)C
SPLASH splash10-0550-9000000000-c258ff217463f44a5534
Source of Spectrum T-66-26-0
Wiley ID 1116720