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Glutaric acid, tridec-2-yn-1-yl 2-methylphenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, tridec-2-yn-1-yl 2-methylphenyl ester
SpectraBase Compound ID 7N56xutOhWu
InChI InChI=1S/C25H36O4/c1-3-4-5-6-7-8-9-10-11-12-15-21-28-24(26)19-16-20-25(27)29-23-18-14-13-17-22(23)2/h13-14,17-18H,3-11,16,19-21H2,1-2H3
InChIKey DITDUYXAYBHXNM-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C25H36O4
Exact Mass 400.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8MMIvSc0tjS
Name Glutaric acid, tridec-2-yn-1-yl 2-methylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.261359635 u
Formula C25H36O4
InChI InChI=1S/C25H36O4/c1-3-4-5-6-7-8-9-10-11-12-15-21-28-24(26)19-16-20-25(27)29-23-18-14-13-17-22(23)2/h13-14,17-18H,3-11,16,19-21H2,1-2H3
InChIKey DITDUYXAYBHXNM-UHFFFAOYSA-N
Molecular Weight 400.559 g/mol
SMILES C(CCC(OCC#CCCCCCCCCCC)=O)C(OC=1C(C)=CC=CC1)=O