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3-Bromo-5-propoxy-4-thiocyanatofuran-2(5H)-one
SpectraBase Compound ID 7rGXGK7SZhs
InChI InChI=1S/C8H8BrNO3S/c1-2-3-12-8-6(14-4-10)5(9)7(11)13-8/h8H,2-3H2,1H3
InChIKey JFPNZUARKYYLPB-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 1dQ4mfFZXC3
Name 3-Bromo-5-propoxy-4-thiocyanatofuran-2(5H)-one
Appearance Yellowish oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.940827293 u
Formula C8H8BrNO3S
InChI InChI=1S/C8H8BrNO3S/c1-2-3-12-8-6(14-4-10)5(9)7(11)13-8/h8H,2-3H2,1H3
InChIKey JFPNZUARKYYLPB-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP5000
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900749
Quality 900
SMILES C1(OC(C(=C1SC#N)Br)=O)OCCC
SPLASH splash10-096r-4950000000-bf89de620deb93745b07
Source of Spectrum K1-2019-SM10-3c (DOI: 10.1002/ejoc.201900749)
Wiley ID 1891938