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2-Butene, 1-isothiocyanato-
SpectraBase Compound ID KBufJVi5M1Y
InChI InChI=1S/C5H7NS/c1-2-3-4-6-5-7/h2-3H,4H2,1H3/b3-2+
InChIKey UGEDVXMHNFVZKR-NSCUHMNNSA-N
Mol Weight 113.18 g/mol
Molecular Formula C5H7NS
Exact Mass 113.02992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BLLyuZl01rL
Name 2-Butene, 1-isothiocyanato-
CAS Registry Number 2253-93-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H7NS
InChI InChI=1S/C5H7NS/c1-2-3-4-6-5-7/h2-3H,4H2,1H3/b3-2+
InChIKey UGEDVXMHNFVZKR-NSCUHMNNSA-N
Molecular Weight 113.178 g/mol
SMILES C\C=C\CN=C=S
SPLASH splash10-0a4i-9100000000-8d6eb9776037b1119c36
Source of Spectrum DC-0-11-10
Synonyms (2E)-1-Isothiocyanato-2-butene (E)-1-isothiocyanato-2-butene (E)-1-isothiocyanatobut-2-ene 2-Butenyl isothiocyanate Isothiocyanic acid, 2-butenyl ester
Wiley ID 1123834