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Prop-2-enoic acid, 3-(5-bromo-2-furyl)-2-cyano-, methyl ester
SpectraBase Compound ID JxdToVRdk6j
InChI InChI=1S/C9H6BrNO3/c1-13-9(12)6(5-11)4-7-2-3-8(10)14-7/h2-4H,1H3/b6-4+
InChIKey SEPZDRVJHMRNPK-GQCTYLIASA-N
Mol Weight 256.05 g/mol
Molecular Formula C9H6BrNO3
Exact Mass 254.953106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iy6CWDrg9Yz
Name Prop-2-enoic acid, 3-(5-bromo-2-furyl)-2-cyano-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.953106054 u
Formula C9H6BrNO3
InChI InChI=1S/C9H6BrNO3/c1-13-9(12)6(5-11)4-7-2-3-8(10)14-7/h2-4H,1H3/b6-4+
InChIKey SEPZDRVJHMRNPK-GQCTYLIASA-N
Molecular Weight 256.055 g/mol
SMILES C=1(\C=C\(C(=O)OC)C#N)OC(Br)=CC1