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Naphthalene-2,6-dicarboxylic acid, 4-cyanophenyl ester 4-pentylphenyl ester
SpectraBase Compound ID Jrvryx05Zu9
InChI InChI=1S/C30H25NO4/c1-2-3-4-5-21-6-14-27(15-7-21)34-29(32)25-12-10-24-19-26(13-11-23(24)18-25)30(33)35-28-16-8-22(20-31)9-17-28/h6-19H,2-5H2,1H3
InChIKey XRIQNWVJADKYBO-UHFFFAOYSA-N
Mol Weight 463.53 g/mol
Molecular Formula C30H25NO4
Exact Mass 463.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49MOgfGXH8j
Name Naphthalene-2,6-dicarboxylic acid, 4-cyanophenyl ester 4-pentylphenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H25NO4
InChI InChI=1S/C30H25NO4/c1-2-3-4-5-21-6-14-27(15-7-21)34-29(32)25-12-10-24-19-26(13-11-23(24)18-25)30(33)35-28-16-8-22(20-31)9-17-28/h6-19H,2-5H2,1H3
InChIKey XRIQNWVJADKYBO-UHFFFAOYSA-N
Molecular Weight 463.533 g/mol
SMILES c1c(ccc(OC(c2ccc3c(c2)ccc(c3)C(=O)Oc2ccc(cc2)C#N)=O)c1)CCCCC
SPLASH splash10-0udi-4809000000-fc859f61ad87681a26ca
Synonyms 2-(4-Cyanophenyl) 6-(4-pentylphenyl) 2,6-naphthalenedicarboxylate 2-O-(4-cyanophenyl) 6-O-(4-pentylphenyl) naphthalene-2,6-dicarboxylate naphthalene-2,6-dicarboxylic acid O2-(4-cyanophenyl) ester O6-(4-pentylphenyl) ester naphthalene-2,6-dicarboxylic acid O6-(4-amylphenyl) ester O2-(4-cyanophenyl) ester O2-(4-cyanophenyl) O6-(4-pentylphenyl) naphthalene-2,6-dicarboxylate
Wiley ID 1486743