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3-Bromo-5-(2-chloroethoxy)-4-thiocyanatofuran-2(5H)-one
SpectraBase Compound ID AdH9Ng5Fv9R
InChI InChI=1S/C7H5BrClNO3S/c8-4-5(14-3-10)7(12-2-1-9)13-6(4)11/h7H,1-2H2
InChIKey XJPPIICQHRNISK-UHFFFAOYSA-N
Mol Weight 298.54 g/mol
Molecular Formula C7H5BrClNO3S
Exact Mass 296.886205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LsfRgmVTXTf
Name 3-Bromo-5-(2-chloroethoxy)-4-thiocyanatofuran-2(5H)-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5BrClNO3S
InChI InChI=1S/C7H5BrClNO3S/c8-4-5(14-3-10)7(12-2-1-9)13-6(4)11/h7H,1-2H2
InChIKey XJPPIICQHRNISK-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP5000
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900749
Molecular Weight 298.538 g/mol
SMILES C1(OC(C(=C1SC#N)Br)=O)OCCCl
SPLASH splash10-03di-4930000000-62a45f9bf82a2927c875
Source of Spectrum K1-2019-SM17-3h (DOI: 10.1002/ejoc.201900749)
Wiley ID 1891942