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Phthalic acid, dodec-9-yn-1-yl phenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, dodec-9-yn-1-yl phenyl ester
SpectraBase Compound ID 7i2SzDO8b4W
InChI InChI=1S/C26H30O4/c1-2-3-4-5-6-7-8-9-10-16-21-29-25(27)23-19-14-15-20-24(23)26(28)30-22-17-12-11-13-18-22/h11-15,17-20H,2,5-10,16,21H2,1H3
InChIKey IUESNHJYNHVXJV-UHFFFAOYSA-N
Mol Weight 406.52 g/mol
Molecular Formula C26H30O4
Exact Mass 406.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FjJcKGYtXJi
Name Phthalic acid, dodec-9-yn-1-yl phenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.214409442 u
Formula C26H30O4
InChI InChI=1S/C26H30O4/c1-2-3-4-5-6-7-8-9-10-16-21-29-25(27)23-19-14-15-20-24(23)26(28)30-22-17-12-11-13-18-22/h11-15,17-20H,2,5-10,16,21H2,1H3
InChIKey IUESNHJYNHVXJV-UHFFFAOYSA-N
Molecular Weight 406.522 g/mol
SMILES C(OCCCCCCCCC#CCC)(=O)C1=C(C=CC=C1)C(OC1=CC=CC=C1)=O