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Phthalic acid, heptadecyl trans-hex-3-enyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, heptadecyl trans-hex-3-enyl ester
SpectraBase Compound ID DSgADTql28e
InChI InChI=1S/C31H50O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-23-27-35-31(33)29-25-21-20-24-28(29)30(32)34-26-22-8-6-4-2/h6,8,20-21,24-25H,3-5,7,9-19,22-23,26-27H2,1-2H3/b8-6+
InChIKey AGBKYFGFFHAYER-SOFGYWHQSA-N
Mol Weight 486.7 g/mol
Molecular Formula C31H50O4
Exact Mass 486.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1OF9PRhsRxk
Name Phthalic acid, heptadecyl trans-hex-3-enyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.370910086 u
Formula C31H50O4
InChI InChI=1S/C31H50O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-23-27-35-31(33)29-25-21-20-24-28(29)30(32)34-26-22-8-6-4-2/h6,8,20-21,24-25H,3-5,7,9-19,22-23,26-27H2,1-2H3/b8-6+
InChIKey AGBKYFGFFHAYER-SOFGYWHQSA-N
Molecular Weight 486.737 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCCCCCCCC)=O)C(OCC\C=C\CC)=O