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4-Cyanophenyl 4-heptylbenzoate
SpectraBase Compound ID 1bqLaiZsLUY
InChI InChI=1S/C21H23NO2/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)21(23)24-20-14-10-18(16-22)11-15-20/h8-15H,2-7H2,1H3
InChIKey ZWAUTNYPKHVAEZ-UHFFFAOYSA-N
Mol Weight 321.42 g/mol
Molecular Formula C21H23NO2
Exact Mass 321.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWP4CViwBcY
Name Benzoic acid, 4-heptyl-, 4-cyanophenyl ester
CAS Registry Number 38690-76-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO2
InChI InChI=1S/C21H23NO2/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)21(23)24-20-14-10-18(16-22)11-15-20/h8-15H,2-7H2,1H3
InChIKey ZWAUTNYPKHVAEZ-UHFFFAOYSA-N
Molecular Weight 321.420 g/mol
SMILES C(c1ccc(cc1)OC(c1ccc(cc1)CCCCCCC)=O)#N
SPLASH splash10-0f6x-9330000000-983b5d0a0ca4b0ea7bc6
Source of Spectrum W5-28870-0-0
Synonyms (4-cyanophenyl) 4-heptylbenzoate 4'-Cyanophenyl 4-heptylbenzoate 4-Heptylbenzoic acid (4-cyanophenyl) ester p-Cyanophenyl p-heptylbenzoate EINECS 254-084-0
Wiley ID 1321091