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Phthalic acid, heptyl 5-methoxy-3-methylpentyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, heptyl 5-methoxy-3-methylpentyl ester
SpectraBase Compound ID DuM5cn3aA0u
InChI InChI=1S/C22H34O5/c1-4-5-6-7-10-15-26-21(23)19-11-8-9-12-20(19)22(24)27-17-14-18(2)13-16-25-3/h8-9,11-12,18H,4-7,10,13-17H2,1-3H3
InChIKey COJOVOPFDGNSLO-UHFFFAOYSA-N
Mol Weight 378.5 g/mol
Molecular Formula C22H34O5
Exact Mass 378.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A4qlJ8tSS4j
Name Phthalic acid, heptyl 5-methoxy-3-methylpentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.240624190 u
Formula C22H34O5
InChI InChI=1S/C22H34O5/c1-4-5-6-7-10-15-26-21(23)19-11-8-9-12-20(19)22(24)27-17-14-18(2)13-16-25-3/h8-9,11-12,18H,4-7,10,13-17H2,1-3H3
InChIKey COJOVOPFDGNSLO-UHFFFAOYSA-N
Molecular Weight 378.509 g/mol
SMILES C(OC(C1=C(C=CC=C1)C(OCCC(CCOC)C)=O)=O)CCCCCC