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3-Bromo-5-ethoxy-4-thiocyanatofuran-2(5H)-one
SpectraBase Compound ID F1nLKzjgvCX
InChI InChI=1S/C7H6BrNO3S/c1-2-11-7-5(13-3-9)4(8)6(10)12-7/h7H,2H2,1H3
InChIKey QQIIJEURZYCCOP-UHFFFAOYSA-N
Mol Weight 264.09 g/mol
Molecular Formula C7H6BrNO3S
Exact Mass 262.925177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BQn5JUaxcOu
Name 3-Bromo-5-ethoxy-4-thiocyanatofuran-2(5H)-one
Appearance Yellowish oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.925177228 u
Formula C7H6BrNO3S
InChI InChI=1S/C7H6BrNO3S/c1-2-11-7-5(13-3-9)4(8)6(10)12-7/h7H,2H2,1H3
InChIKey QQIIJEURZYCCOP-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP5000
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900749
Molecular Weight 264.093 g/mol
Quality 907
SMILES C1(OC(C(=C1SC#N)Br)=O)OCC
SPLASH splash10-03y0-2920000000-de718be82f8881a2f78a
Source of Spectrum K1-2019-SM8-3b (DOI: 10.1002/ejoc.201900749)
Wiley ID 1891937