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Phthalic acid, heptadecyl 3-methylbutyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, heptadecyl 3-methylbutyl ester
SpectraBase Compound ID IrqCvVrI00g
InChI InChI=1S/C30H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-33-29(31)27-21-18-19-22-28(27)30(32)34-25-23-26(2)3/h18-19,21-22,26H,4-17,20,23-25H2,1-3H3
InChIKey OVLIWMUQXJTXET-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4YB57MOV85U
Name Phthalic acid, heptadecyl 3-methylbutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-33-29(31)27-21-18-19-22-28(27)30(32)34-25-23-26(2)3/h18-19,21-22,26H,4-17,20,23-25H2,1-3H3
InChIKey OVLIWMUQXJTXET-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES C1=C(C(=CC=C1)C(OCCCCCCCCCCCCCCCCC)=O)C(OCCC(C)C)=O