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Allyl isothiocyanate
SpectraBase Compound ID IUiNhK0Y8Dy
InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
InChIKey ZOJBYZNEUISWFT-UHFFFAOYSA-N
Mol Weight 99.15 g/mol
Molecular Formula C4H5NS
Exact Mass 99.01427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPOlTEta8SZ
Name Allyl thioisocyanate
Source of Sample Sigma-Aldrich Cat. #36682
CAS Registry Number 57-06-7
Classification Pesticides: Insecticides, Repellents
Copyright Copyright © 2016-2024  John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H5NS
InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
InChIKey ZOJBYZNEUISWFT-UHFFFAOYSA-N
Number of Peaks 42
RI1 879
SMILES C=CCN=C=S
SPLASH splash10-0005-9000000000-b5339c6925fc2379ba6d
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 1-Propene, 3-isothiocyanato-
Wiley ID LM_PEST_863