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Isophthalic acid, cis-hex-3-enyl octyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, cis-hex-3-enyl octyl ester
SpectraBase Compound ID Bxi6YOpflcs
InChI InChI=1S/C22H32O4/c1-3-5-7-9-10-12-17-26-22(24)20-15-13-14-19(18-20)21(23)25-16-11-8-6-4-2/h6,8,13-15,18H,3-5,7,9-12,16-17H2,1-2H3/b8-6-
InChIKey OFUQKMMBLLJYKL-VURMDHGXSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9oGVK8PBCsy
Name Isophthalic acid, cis-hex-3-enyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.230059506 u
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-3-5-7-9-10-12-17-26-22(24)20-15-13-14-19(18-20)21(23)25-16-11-8-6-4-2/h6,8,13-15,18H,3-5,7,9-12,16-17H2,1-2H3/b8-6-
InChIKey OFUQKMMBLLJYKL-VURMDHGXSA-N
Molecular Weight 360.494 g/mol
SMILES C1=CC(=CC(=C1)C(=O)OCCCCCCCC)C(OCC\C=C/CC)=O