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Phthalic acid, heptyl 6-methylhept-2-yl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Phthalic acid, heptyl 6-methylhept-2-yl ester
SpectraBase Compound ID 4AetR1s9gQ7
InChI InChI=1S/C23H36O4/c1-5-6-7-8-11-17-26-22(24)20-15-9-10-16-21(20)23(25)27-19(4)14-12-13-18(2)3/h9-10,15-16,18-19H,5-8,11-14,17H2,1-4H3
InChIKey IYWFDZFPTVMRFI-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GYOt7A8cQ0n
Name Phthalic acid, heptyl 6-methylhept-2-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-5-6-7-8-11-17-26-22(24)20-15-9-10-16-21(20)23(25)27-19(4)14-12-13-18(2)3/h9-10,15-16,18-19H,5-8,11-14,17H2,1-4H3
InChIKey IYWFDZFPTVMRFI-UHFFFAOYSA-N
Molecular Weight 376.537 g/mol
SMILES C(C1=CC=CC=C1C(OC(C)CCCC(C)C)=O)(OCCCCCCC)=O