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3-Chloro-5-methoxy-4-thiocyanatofuran-2(5H)-one
SpectraBase Compound ID G0JeVg9WWKd
InChI InChI=1S/C6H4ClNO3S/c1-10-6-4(12-2-8)3(7)5(9)11-6/h6H,1H3
InChIKey RXEQDRIYFBPQLW-UHFFFAOYSA-N
Mol Weight 205.61 g/mol
Molecular Formula C6H4ClNO3S
Exact Mass 204.960042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7misIiz3nPD
Name 3-Chloro-5-methoxy-4-thiocyanatofuran-2(5H)-one
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.960041864 u
Formula C6H4ClNO3S
InChI InChI=1S/C6H4ClNO3S/c1-10-6-4(12-2-8)3(7)5(9)11-6/h6H,1H3
InChIKey RXEQDRIYFBPQLW-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP5000
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900749
Molecular Weight 205.615 g/mol
Quality 902
SMILES C1(OC(C(=C1Cl)SC#N)OC)=O
SPLASH splash10-0uka-5900000000-65e6f7206f5c4059e0c9
Source of Spectrum K1-2019-SM29-4a (DOI: 10.1002/ejoc.201900749)
Wiley ID 1891948