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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 1s791VUPaCV
Name Allyl isothiocyanate
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Formula C4H5NS
InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
InChIKey ZOJBYZNEUISWFT-UHFFFAOYSA-N
Instrument Name AEI MS12
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.2740190509
Number of Peaks 41
SMILES C=CCN=C=S
SPLASH splash10-0007-9000000000-62fb54f98e6679fa3d9a
Source of Spectrum SFA-19-276-Fig. 2-2 (DOI: 10.1002/jsfa.2740190509)
Wiley ID 1856588