SpectraBase Compound ID | JxdToVRdk6j |
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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 |
SpectraBase Spectrum ID | Iy6CWDrg9Yz |
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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 |