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1-Naphthoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

View entire compound with spectra: 1 NMR

1-Naphthoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester
SpectraBase Compound ID 1IE4utT643j
InChI InChI=1S/C22H24O2/c1-5-9-17(4)21(15-14-16(2)3)24-22(23)20-13-8-11-18-10-6-7-12-19(18)20/h6-8,10-13,17,21H,2,5,9H2,1,3-4H3
InChIKey ZADXSOUCXHUWLU-UHFFFAOYSA-N
Mol Weight 320.43 g/mol
Molecular Formula C22H24O2
Exact Mass 320.17763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ALNS3m7oQHz
Name 1-Naphthoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.177630011 u
Formula C22H24O2
InChI InChI=1S/C22H24O2/c1-5-9-17(4)21(15-14-16(2)3)24-22(23)20-13-8-11-18-10-6-7-12-19(18)20/h6-8,10-13,17,21H,2,5,9H2,1,3-4H3
InChIKey ZADXSOUCXHUWLU-UHFFFAOYSA-N
Molecular Weight 320.432 g/mol
SMILES C12=CC=CC=C2C(=CC=C1)C(OC(C#CC(=C)C)C(CCC)C)=O