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3-Bromo-5-isopropoxy-4-thiocyanatofuran-2(5H)-one
SpectraBase Compound ID DLmWrd8H57h
InChI InChI=1S/C8H8BrNO3S/c1-4(2)12-8-6(14-3-10)5(9)7(11)13-8/h4,8H,1-2H3
InChIKey MUXBOMFXMZSGEL-UHFFFAOYSA-N
Mol Weight 278.12 g/mol
Molecular Formula C8H8BrNO3S
Exact Mass 276.940827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qLnp1ZFhnm
Name 3-Bromo-5-isopropoxy-4-thiocyanatofuran-2(5H)-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.940827293 u
Formula C8H8BrNO3S
InChI InChI=1S/C8H8BrNO3S/c1-4(2)12-8-6(14-3-10)5(9)7(11)13-8/h4,8H,1-2H3
InChIKey MUXBOMFXMZSGEL-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP5000
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900749
SMILES C1(OC(C(=C1SC#N)Br)=O)OC(C)C
SPLASH splash10-0300-2590000000-e9da381640c63a5f487e
Source of Spectrum K1-2019-SM20-3j (DOI: 10.1002/ejoc.201900749)
Wiley ID 1891944