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Ethyl 2-cyano-6-fluorobenzoate
SpectraBase Compound ID IwCT5UDNfBx
InChI InChI=1S/C10H8FNO2/c1-2-14-10(13)9-7(6-12)4-3-5-8(9)11/h3-5H,2H2,1H3
InChIKey RLTYVDQMQFZCEF-UHFFFAOYSA-N
Mol Weight 193.18 g/mol
Molecular Formula C10H8FNO2
Exact Mass 193.053907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYCabhZU9dD
Name Ethyl 2-cyano-6-fluorobenzoate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 193.053906663 u
Formula C10H8FNO2
InChI InChI=1S/C10H8FNO2/c1-2-14-10(13)9-7(6-12)4-3-5-8(9)11/h3-5H,2H2,1H3
InChIKey RLTYVDQMQFZCEF-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q or HEWLETT-PACKARD HP 6890-MSD 5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.202103700
Molecular Weight 193.177 g/mol
Quality 123
SMILES C=1C=CC(=C(C1C#N)C(=O)OCC)F
SPLASH splash10-0002-0900000000-f0d07c1b9cbc1918c230
Source of Spectrum QE-28-SM60-4j (DOI: 10.1002/chem.202103700)
Wiley ID 1898237