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Phthalic acid, heptyl non-5-yn-3-yl ester

View entire compound with spectra: 1 NMR

Phthalic acid, heptyl non-5-yn-3-yl ester
SpectraBase Compound ID L2JazjVmsUm
InChI InChI=1S/C24H34O4/c1-4-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20(6-3)16-12-10-8-5-2/h13-14,17-18,20H,4-9,11,15-16,19H2,1-3H3
InChIKey QNHJLHPHGRWICZ-UHFFFAOYSA-N
Mol Weight 386.5 g/mol
Molecular Formula C24H34O4
Exact Mass 386.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3sqZ5U5RGID
Name Phthalic acid, heptyl non-5-yn-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.245709571 u
Formula C24H34O4
InChI InChI=1S/C24H34O4/c1-4-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20(6-3)16-12-10-8-5-2/h13-14,17-18,20H,4-9,11,15-16,19H2,1-3H3
InChIKey QNHJLHPHGRWICZ-UHFFFAOYSA-N
Molecular Weight 386.532 g/mol
SMILES C(C1=C(C=CC=C1)C(=O)OCCCCCCC)(OC(CC)CC#CCCC)=O