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3-Bromo-5-butoxy-4-thiocyanatofuran-2(5H)-one
SpectraBase Compound ID JdrflEmiRxP
InChI InChI=1S/C9H10BrNO3S/c1-2-3-4-13-9-7(15-5-11)6(10)8(12)14-9/h9H,2-4H2,1H3
InChIKey TYANONQBYKFHPW-UHFFFAOYSA-N
Mol Weight 292.15 g/mol
Molecular Formula C9H10BrNO3S
Exact Mass 290.956477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9RSm0I5De4r
Name 3-Bromo-5-butoxy-4-thiocyanatofuran-2(5H)-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10BrNO3S
InChI InChI=1S/C9H10BrNO3S/c1-2-3-4-13-9-7(15-5-11)6(10)8(12)14-9/h9H,2-4H2,1H3
InChIKey TYANONQBYKFHPW-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP5000
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900749
Molecular Weight 292.147 g/mol
Quality 54
SMILES C1(OC(C(=C1SC#N)Br)=O)OCCCC
SPLASH splash10-03di-3930000000-3d48afd8589d6a03ea77
Source of Spectrum K1-2019-SM11-3d (DOI: 10.1002/ejoc.201900749)
Wiley ID 1891939