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4-Pentyl-cyclohexanecarboxylic acid, 6-(4-cyano-phenyl)-naphthalen-2-yl ester
SpectraBase Compound ID 6WCDF3pSPft
InChI InChI=1S/C29H31NO2/c1-2-3-4-5-21-6-12-24(13-7-21)29(31)32-28-17-16-26-18-25(14-15-27(26)19-28)23-10-8-22(20-30)9-11-23/h8-11,14-19,21,24H,2-7,12-13H2,1H3
InChIKey MYWSONYFSSAVRQ-UHFFFAOYSA-N
Mol Weight 425.57 g/mol
Molecular Formula C29H31NO2
Exact Mass 425.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DfBoXVhzyWS
Name 4-Pentyl-cyclohexanecarboxylic acid, 6-(4-cyano-phenyl)-naphthalen-2-yl ester
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Formula C29H31NO2
InChI InChI=1S/C29H31NO2/c1-2-3-4-5-21-6-12-24(13-7-21)29(31)32-28-17-16-26-18-25(14-15-27(26)19-28)23-10-8-22(20-30)9-11-23/h8-11,14-19,21,24H,2-7,12-13H2,1H3
InChIKey MYWSONYFSSAVRQ-UHFFFAOYSA-N
Molecular Weight 425.572 g/mol
SMILES C(Oc1cc2ccc(cc2cc1)-c1ccc(C#N)cc1)(C1CCC(CC1)CCCCC)=O
SPLASH splash10-0002-9170000000-d4564445e08048c1c6c1
Synonyms 4-Pentyl-1-cyclohexanecarboxylic acid [6-(4-cyanophenyl)-2-naphthalenyl] ester [6-(4-cyanophenyl)-2-naphthyl] 4-pentylcyclohexanecarboxylate [6-(4-cyanophenyl)naphthalen-2-yl] 4-pentylcyclohexane-1-carboxylate
Wiley ID 1487971