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(2E)-2-Butenoyl isothiocyanate
SpectraBase Compound ID ITUoZY3sIMM
InChI InChI=1S/C5H5NOS/c1-2-3-5(7)6-4-8/h2-3H,1H3/b3-2+
InChIKey GGYYXENTGJDZTN-NSCUHMNNSA-N
Mol Weight 127.16 g/mol
Molecular Formula C5H5NOS
Exact Mass 127.009185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8EYqSncYCqW
Name (2E)-2-Butenoyl isothiocyanate
Alternate Name(s) Crotonyl isothiocyanate (E)-1-isothiocyanato-2-buten-1-one (E)-but-2-enoyl isothiocyanate
CAS Registry Number 60034-28-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H5NOS
InChI InChI=1S/C5H5NOS/c1-2-3-5(7)6-4-8/h2-3H,1H3/b3-2+
InChIKey GGYYXENTGJDZTN-NSCUHMNNSA-N
Molecular Weight 127.161 g/mol
SMILES C\C=C\C(N=C=S)=O
SPLASH splash10-014u-9000000000-3c6fdafb550eaa543ca6
Source of Spectrum NP-0-6647-0
Wiley ID 1096554