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Benzoic acid, 4-(2-methylbutyl)-, 4-(nonyloxy)phenyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Benzoic acid, 4-(2-methylbutyl)-, 4-(nonyloxy)phenyl ester
SpectraBase Compound ID 942DRlcqaIV
InChI InChI=1S/C27H38O3/c1-4-6-7-8-9-10-11-20-29-25-16-18-26(19-17-25)30-27(28)24-14-12-23(13-15-24)21-22(3)5-2/h12-19,22H,4-11,20-21H2,1-3H3
InChIKey IKSRFPKSYKMDAI-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C27H38O3
Exact Mass 410.282095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6XTqplnyeyI
Name Benzoic acid, 4-(2-methylbutyl)-, 4-(nonyloxy)phenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.282095081 u
Formula C27H38O3
InChI InChI=1S/C27H38O3/c1-4-6-7-8-9-10-11-20-29-25-16-18-26(19-17-25)30-27(28)24-14-12-23(13-15-24)21-22(3)5-2/h12-19,22H,4-11,20-21H2,1-3H3
InChIKey IKSRFPKSYKMDAI-UHFFFAOYSA-N
Molecular Weight 410.598 g/mol
SMILES CCCCCCCCCOC1=CC=C(C=C1)OC(=O)C1=CC=C(C=C1)CC(C)CC