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5-Benzyloxy-3-chloro-4-thiocyanatofuran-2(5H)-one
SpectraBase Compound ID IvJ7MeDlv7G
InChI InChI=1S/C12H8ClNO3S/c13-9-10(18-7-14)12(17-11(9)15)16-6-8-4-2-1-3-5-8/h1-5,12H,6H2
InChIKey SIFGOCFHFNFTAU-UHFFFAOYSA-N
Mol Weight 281.71 g/mol
Molecular Formula C12H8ClNO3S
Exact Mass 280.991342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GFpFzqBSJbk
Name 5-Benzyloxy-3-chloro-4-thiocyanatofuran-2(5H)-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.991341993 u
Formula C12H8ClNO3S
InChI InChI=1S/C12H8ClNO3S/c13-9-10(18-7-14)12(17-11(9)15)16-6-8-4-2-1-3-5-8/h1-5,12H,6H2
InChIKey SIFGOCFHFNFTAU-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP5000
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900749
Quality 862
SMILES C1(OC(C(=C1Cl)SC#N)OCC1=CC=CC=C1)=O
SPLASH splash10-0f96-9810000000-fa31406d83c7df1b56b8
Source of Spectrum K1-2019-SM46-4l (DOI: 10.1002/ejoc.201900749)
Wiley ID 1891953