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3-Bromo-5-methoxy-4-thiocyanatofuran-2(5H)-one
SpectraBase Compound ID QKCDKUesoJ
InChI InChI=1S/C6H4BrNO3S/c1-10-6-4(12-2-8)3(7)5(9)11-6/h6H,1H3
InChIKey YKXGFSXRTRTXHJ-UHFFFAOYSA-N
Mol Weight 250.07 g/mol
Molecular Formula C6H4BrNO3S
Exact Mass 248.909527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cWcjqahMRx
Name 3-Bromo-5-methoxy-4-thiocyanatofuran-2(5H)-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.909527164 u
Formula C6H4BrNO3S
InChI InChI=1S/C6H4BrNO3S/c1-10-6-4(12-2-8)3(7)5(9)11-6/h6H,1H3
InChIKey YKXGFSXRTRTXHJ-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP5000
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900749
Molecular Weight 250.066 g/mol
Quality 872
SMILES C1(OC(C(=C1SC#N)Br)=O)OC
SPLASH splash10-03ea-3910000000-eef5a4125b7195b3c559
Source of Spectrum K1-2019-SM7-3a (DOI: 10.1002/ejoc.201900749)
Wiley ID 1891936