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3-Bromo-5-cyclohexyloxy-4-thiocyanatofuran-2(5H)-one
SpectraBase Compound ID 3glvIDcRiK2
InChI InChI=1S/C11H12BrNO3S/c12-8-9(17-6-13)11(16-10(8)14)15-7-4-2-1-3-5-7/h7,11H,1-5H2
InChIKey UZBFZNNGGWVBOZ-UHFFFAOYSA-N
Mol Weight 318.19 g/mol
Molecular Formula C11H12BrNO3S
Exact Mass 316.972127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4mZw1q7bas3
Name 3-Bromo-5-cyclohexyloxy-4-thiocyanatofuran-2(5H)-one
Appearance White solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.972127421 u
Formula C11H12BrNO3S
InChI InChI=1S/C11H12BrNO3S/c12-8-9(17-6-13)11(16-10(8)14)15-7-4-2-1-3-5-7/h7,11H,1-5H2
InChIKey UZBFZNNGGWVBOZ-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP5000
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900749
Molecular Weight 318.185 g/mol
Quality 860
SMILES C1(OC(C(=C1Br)SC#N)OC1CCCCC1)=O
SPLASH splash10-0c0r-9640000000-790f2f1b30a000b9f83f
Source of Spectrum K1-2019-SM23-3l (DOI: 10.1002/ejoc.201900749)
Wiley ID 1891945