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Phthalic acid, heptyl 1-methoxydec-4-yl ester

View entire compound with spectra: 1 NMR

Phthalic acid, heptyl 1-methoxydec-4-yl ester
SpectraBase Compound ID 7GVxZOPGZNk
InChI InChI=1S/C26H42O5/c1-4-6-8-10-14-21-30-25(27)23-18-12-13-19-24(23)26(28)31-22(17-15-20-29-3)16-11-9-7-5-2/h12-13,18-19,22H,4-11,14-17,20-21H2,1-3H3
InChIKey WMMWUKNNCBAWAO-UHFFFAOYSA-N
Mol Weight 434.6 g/mol
Molecular Formula C26H42O5
Exact Mass 434.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1auQNZhHJ7n
Name Phthalic acid, heptyl 1-methoxydec-4-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.303224447 u
Formula C26H42O5
InChI InChI=1S/C26H42O5/c1-4-6-8-10-14-21-30-25(27)23-18-12-13-19-24(23)26(28)31-22(17-15-20-29-3)16-11-9-7-5-2/h12-13,18-19,22H,4-11,14-17,20-21H2,1-3H3
InChIKey WMMWUKNNCBAWAO-UHFFFAOYSA-N
Molecular Weight 434.617 g/mol
SMILES C1(=C(C=CC=C1)C(OCCCCCCC)=O)C(OC(CCCOC)CCCCCC)=O