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Phthalic acid, propyl tridec-2-yn-1-yl ester

View entire compound with spectra: 1 NMR

Phthalic acid, propyl tridec-2-yn-1-yl ester
SpectraBase Compound ID KgvsDRrc6gs
InChI InChI=1S/C24H34O4/c1-3-5-6-7-8-9-10-11-12-13-16-20-28-24(26)22-18-15-14-17-21(22)23(25)27-19-4-2/h14-15,17-18H,3-12,19-20H2,1-2H3
InChIKey NJEORPBRXLCKGY-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 CqpvqFVnaqk
Name Phthalic acid, propyl tridec-2-yn-1-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/c1-3-5-6-7-8-9-10-11-12-13-16-20-28-24(26)22-18-15-14-17-21(22)23(25)27-19-4-2/h14-15,17-18H,3-12,19-20H2,1-2H3
InChIKey NJEORPBRXLCKGY-UHFFFAOYSA-N
Molecular Weight 386.532 g/mol
SMILES C(C1=C(C=CC=C1)C(OCC#CCCCCCCCCCC)=O)(OCCC)=O