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(4'-cyanide)yl-[1,1'-biphenyl]-4-yl (4-pentylcyclohexanecarboxylate)
SpectraBase Compound ID K0OzBoVEjS5
InChI InChI=1S/C25H29NO2/c1-2-3-4-5-19-6-12-23(13-7-19)25(27)28-24-16-14-22(15-17-24)21-10-8-20(18-26)9-11-21/h8-11,14-17,19,23H,2-7,12-13H2,1H3
InChIKey ABLOCJKXEFSPCF-UHFFFAOYSA-N
Mol Weight 375.51 g/mol
Molecular Formula C25H29NO2
Exact Mass 375.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HdgxPYm8Io
Name (4'-cyanide)yl-[1,1'-biphenyl]-4-yl (4-pentylcyclohexanecarboxylate)
Appearance White solid
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Formula C25H29NO2
InChI InChI=1S/C25H29NO2/c1-2-3-4-5-19-6-12-23(13-7-19)25(27)28-24-16-14-22(15-17-24)21-10-8-20(18-26)9-11-21/h8-11,14-17,19,23H,2-7,12-13H2,1H3
InChIKey ABLOCJKXEFSPCF-UHFFFAOYSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Molecular Weight 375.512 g/mol
SMILES c1cc(ccc1-c1ccc(cc1)C#N)OC(C1CCC(CC1)CCCCC)=O
SPLASH splash10-01q9-1900000000-0be55ccf5b8de8aa72a7
Source of Spectrum CN114805121A
Wiley ID 1884607