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

View entire compound with spectra: 1 NMR

Isophthalic acid, cis-hex-3-enyl nonyl ester
SpectraBase Compound ID I7UGKSZ8pLA
InChI InChI=1S/C23H34O4/c1-3-5-7-9-10-11-13-18-27-23(25)21-16-14-15-20(19-21)22(24)26-17-12-8-6-4-2/h6,8,14-16,19H,3-5,7,9-13,17-18H2,1-2H3/b8-6-
InChIKey UOINNQINQRPTPH-VURMDHGXSA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8CbB76RCuPy
Name Isophthalic acid, cis-hex-3-enyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.245709571 u
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-3-5-7-9-10-11-13-18-27-23(25)21-16-14-15-20(19-21)22(24)26-17-12-8-6-4-2/h6,8,14-16,19H,3-5,7,9-13,17-18H2,1-2H3/b8-6-
InChIKey UOINNQINQRPTPH-VURMDHGXSA-N
Molecular Weight 374.521 g/mol
SMILES C1=CC(=CC(=C1)C(=O)OCCCCCCCCC)C(OCC\C=C/CC)=O