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4-Hexadecynoic acid, 2-(phenylmethoxy)-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Hexadecynoic acid, 2-(phenylmethoxy)-, methyl ester
SpectraBase Compound ID JDzzyQHSSpq
InChI InChI=1S/C24H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-23(24(25)26-2)27-21-22-18-15-14-16-19-22/h14-16,18-19,23H,3-12,20-21H2,1-2H3
InChIKey HJISZRRIUDDEAI-UHFFFAOYSA-N
Mol Weight 372.5 g/mol
Molecular Formula C24H36O3
Exact Mass 372.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3oTUWORe4T6
Name 4-Hexadecynoic acid, 2-(phenylmethoxy)-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.266445016 u
Formula C24H36O3
InChI InChI=1S/C24H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-23(24(25)26-2)27-21-22-18-15-14-16-19-22/h14-16,18-19,23H,3-12,20-21H2,1-2H3
InChIKey HJISZRRIUDDEAI-UHFFFAOYSA-N
Molecular Weight 372.549 g/mol
SMILES C(OC(CC#CCCCCCCCCCCC)C(OC)=O)C1=CC=CC=C1