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

View entire compound with spectra: 1 NMR

Phthalic acid, pentyl tridec-2-yn-1-yl ester
SpectraBase Compound ID EYqN1qCmmsc
InChI InChI=1S/C26H38O4/c1-3-5-7-8-9-10-11-12-13-14-18-22-30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-6-4-2/h15-16,19-20H,3-13,17,21-22H2,1-2H3
InChIKey JTDJGSYSHPRLPN-UHFFFAOYSA-N
Mol Weight 414.6 g/mol
Molecular Formula C26H38O4
Exact Mass 414.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KvL1s6jrpi
Name Phthalic acid, pentyl tridec-2-yn-1-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.277009700 u
Formula C26H38O4
InChI InChI=1S/C26H38O4/c1-3-5-7-8-9-10-11-12-13-14-18-22-30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-6-4-2/h15-16,19-20H,3-13,17,21-22H2,1-2H3
InChIKey JTDJGSYSHPRLPN-UHFFFAOYSA-N
Molecular Weight 414.586 g/mol
SMILES C1=CC=CC(=C1C(OCCCCC)=O)C(OCC#CCCCCCCCCCC)=O