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Phthalic acid, dodecyl 4-methylhept-3-yl ester

View entire compound with spectra: 1 NMR

Phthalic acid, dodecyl 4-methylhept-3-yl ester
SpectraBase Compound ID IbgqeAZHSnc
InChI InChI=1S/C28H46O4/c1-5-8-9-10-11-12-13-14-15-18-22-31-27(29)24-20-16-17-21-25(24)28(30)32-26(7-3)23(4)19-6-2/h16-17,20-21,23,26H,5-15,18-19,22H2,1-4H3
InChIKey KPRYLEGAENEKBT-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A7jY7DPwbOk
Name Phthalic acid, dodecyl 4-methylhept-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-5-8-9-10-11-12-13-14-15-18-22-31-27(29)24-20-16-17-21-25(24)28(30)32-26(7-3)23(4)19-6-2/h16-17,20-21,23,26H,5-15,18-19,22H2,1-4H3
InChIKey KPRYLEGAENEKBT-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(C1=CC=CC=C1C(OC(CC)C(C)CCC)=O)(OCCCCCCCCCCCC)=O