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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AnQPknmuvKS
Name ISOTHIOCYANIC ACID, ALLYL ESTER
Source of Sample MCB Manufacturing Chemists, Norwood, Ohio
Boiling Point 150-152C
Copyright Copyright © 1980, 1981-2024 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
Molecular Weight 99.16
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20