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4-Pentylbenzoic acid, 6-(4-cyanophenyl)naphthalen-2-yl ester
SpectraBase Compound ID 4VWZo1VdLC0
InChI InChI=1S/C29H25NO2/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/h6-19H,2-5H2,1H3
InChIKey AXNXCPMVRJBPOP-UHFFFAOYSA-N
Mol Weight 419.52 g/mol
Molecular Formula C29H25NO2
Exact Mass 419.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7yTbPS7I9p
Name 4-Pentylbenzoic acid, 6-(4-cyanophenyl)naphthalen-2-yl ester
CAS Registry Number 100808-12-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H25NO2
InChI InChI=1S/C29H25NO2/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/h6-19H,2-5H2,1H3
InChIKey AXNXCPMVRJBPOP-UHFFFAOYSA-N
Molecular Weight 419.524 g/mol
SMILES CCCCCc1ccc(cc1)C(=O)Oc1ccc2cc(ccc2c1)-c1ccc(cc1)C#N
SPLASH splash10-004i-3900000000-9bdb2aeadadb8c409544
Synonyms 4-Pentylbenzoic acid [6-(4-cyanophenyl)-2-naphthalenyl] ester [6-(4-cyanophenyl)-2-naphthyl] 4-pentylbenzoate [6-(4-cyanophenyl)naphthalen-2-yl] 4-pentylbenzoate
Wiley ID 1480009