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1,2-Benzenedicarboxylic acid, butyl 8-methylnonyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

1,2-Benzenedicarboxylic acid, butyl 8-methylnonyl ester
SpectraBase Compound ID KeVtMmavc9J
InChI InChI=1S/C22H34O4/c1-4-5-16-25-21(23)19-14-10-11-15-20(19)22(24)26-17-12-8-6-7-9-13-18(2)3/h10-11,14-15,18H,4-9,12-13,16-17H2,1-3H3
InChIKey IOVNHINTOHPELQ-UHFFFAOYSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 274DJFIQm10
Name 1,2-Benzenedicarboxylic acid, butyl 8-methylnonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.245709571 u
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-4-5-16-25-21(23)19-14-10-11-15-20(19)22(24)26-17-12-8-6-7-9-13-18(2)3/h10-11,14-15,18H,4-9,12-13,16-17H2,1-3H3
InChIKey IOVNHINTOHPELQ-UHFFFAOYSA-N
Molecular Weight 362.510 g/mol
SMILES C(OCCCCCCCC(C)C)(=O)C1=C(C(OCCCC)=O)C=CC=C1