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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 1auwrcztZ9Y
Name 4-PENTYLCYCLOHEXANECARBOXYLIC ACID 6-(4-CYANOPHENYL)NAPHTHALEN-2-YL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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 425.2347
SMILES C(#N)c1ccc(-c2cc3ccc(OC(C4CCC(CCCCC)CC4)=O)cc3cc2)cc1
SPLASH splash10-0002-9170000000-30608940cd0fd4a539ff
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany