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4-Cyano-3-fluorophenyl 4-butylbenzoate

View entire compound with spectra: 1 NMR, 2 FTIR, and 1 Raman

4-Cyano-3-fluorophenyl 4-butylbenzoate
SpectraBase Compound ID HDi8FY5hGpG
InChI InChI=1S/C18H16FNO2/c1-2-3-4-13-5-7-14(8-6-13)18(21)22-16-10-9-15(12-20)17(19)11-16/h5-11H,2-4H2,1H3
InChIKey IBUUMDHMTARCSQ-UHFFFAOYSA-N
Mol Weight 297.33 g/mol
Molecular Formula C18H16FNO2
Exact Mass 297.116507 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID FbU3m7J2sGI
Name 4-Cyano-3-fluorophenyl 4-butylbenzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.116506920 u
Formula C18H16FNO2
InChI InChI=1S/C18H16FNO2/c1-2-3-4-13-5-7-14(8-6-13)18(21)22-16-10-9-15(12-20)17(19)11-16/h5-11H,2-4H2,1H3
InChIKey IBUUMDHMTARCSQ-UHFFFAOYSA-N
Molecular Weight 297.329 g/mol
SMILES C=1C(=CC=C(C1)CCCC)C(OC=1C=CC(=C(C1)F)C#N)=O
Spectrum/Structure Validation Score (Raman) 0.859169