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4-cyano-3-fluorophenyl 4-(4-pentylcyclohexyl)benzoate
SpectraBase Compound ID 83PC57FZanB
InChI InChI=1S/C25H28FNO2/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)25(28)29-23-15-14-22(17-27)24(26)16-23/h10-16,18-19H,2-9H2,1H3
InChIKey JHWDKPIJNPJWBS-UHFFFAOYSA-N
Mol Weight 393.5 g/mol
Molecular Formula C25H28FNO2
Exact Mass 393.210407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F3GjMwDzSGs
Name 4-cyano-3-fluorophenyl 4-(4-pentylcyclohexyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28FNO2
InChI InChI=1S/C25H28FNO2/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)25(28)29-23-15-14-22(17-27)24(26)16-23/h10-16,18-19H,2-9H2,1H3
InChIKey JHWDKPIJNPJWBS-UHFFFAOYSA-N
Molecular Weight 393.502 g/mol
SMILES C(CCCC1CCC(CC1)c1ccc(cc1)C(=O)Oc1ccc(c(c1)F)C#N)C
SPLASH splash10-0a4i-1290000000-a27c75641b54a5358c9f
Source of Spectrum JX-2019-154-0
Wiley ID 1818957