Debug Info

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_id
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BMQNDXXVJZq
spectrumID
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BMQNDXXVJZq
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Cyclohexanecarboxylic acid, 4-pentyl-, 4-butoxy-2,3-dicyanophenyl ester
SpectraBase Compound ID AUIknetqavS
InChI InChI=1S/C24H32N2O3/c1-3-5-7-8-18-9-11-19(12-10-18)24(27)29-23-14-13-22(28-15-6-4-2)20(16-25)21(23)17-26/h13-14,18-19H,3-12,15H2,1-2H3
InChIKey FPNKCALAUFATJN-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C24H32N2O3
Exact Mass 396.241293 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BMQNDXXVJZq
Name CYCLOHEXANECARBOXYLIC ACID, 4-PENTYL-, 4-BUTOXY-2,3-DICYANOPHENYL ESTER
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C24H32N2O3
InChI InChI=1S/C24H32N2O3/c1-3-5-7-8-18-9-11-19(12-10-18)24(27)29-23-14-13-22(28-15-6-4-2)20(16-25)21(23)17-26/h13-14,18-19H,3-12,15H2,1-2H3
InChIKey FPNKCALAUFATJN-UHFFFAOYSA-N
Molecular Weight 396.2405
SMILES CCCCCC1CCC(C(Oc2c(C#N)c(C#N)c(OCCCC)cc2)=O)CC1
SPLASH splash10-06sj-9300000000-5e98a290e226f3024544
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
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