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Phthalic acid, heptyl 5-methoxy-3-methylpent-2-yl ester

View entire compound with spectra: 1 NMR

Phthalic acid, heptyl 5-methoxy-3-methylpent-2-yl ester
SpectraBase Compound ID JxfbCBwFKkV
InChI InChI=1S/C22H34O5/c1-5-6-7-8-11-15-26-21(23)19-12-9-10-13-20(19)22(24)27-18(3)17(2)14-16-25-4/h9-10,12-13,17-18H,5-8,11,14-16H2,1-4H3
InChIKey RRCDGBDEXJUZMX-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 Axf1E3GG99I
Name Phthalic acid, heptyl 5-methoxy-3-methylpent-2-yl 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/c1-5-6-7-8-11-15-26-21(23)19-12-9-10-13-20(19)22(24)27-18(3)17(2)14-16-25-4/h9-10,12-13,17-18H,5-8,11,14-16H2,1-4H3
InChIKey RRCDGBDEXJUZMX-UHFFFAOYSA-N
Molecular Weight 378.509 g/mol
SMILES C(C1=C(C=CC=C1)C(OC(C(CCOC)C)C)=O)(OCCCCCCC)=O