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2,4-Dimethoxy-6-(1-methylpent-3-ynyloxycarbonylmethyl)benzoic acid

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

2,4-Dimethoxy-6-(1-methylpent-3-ynyloxycarbonylmethyl)benzoic acid
SpectraBase Compound ID CKxWhQUPlBE
InChI InChI=1S/C17H20O6/c1-5-6-7-11(2)23-15(18)9-12-8-13(21-3)10-14(22-4)16(12)17(19)20/h8,10-11H,7,9H2,1-4H3,(H,19,20)
InChIKey HLTPKGRTPZIYCV-UHFFFAOYSA-N
Mol Weight 320.34 g/mol
Molecular Formula C17H20O6
Exact Mass 320.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2JoFonBjS6M
Name 2,4-Dimethoxy-6-(1-methylpent-3-ynyloxycarbonylmethyl)benzoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.125988358 u
Formula C17H20O6
InChI InChI=1S/C17H20O6/c1-5-6-7-11(2)23-15(18)9-12-8-13(21-3)10-14(22-4)16(12)17(19)20/h8,10-11H,7,9H2,1-4H3,(H,19,20)
InChIKey HLTPKGRTPZIYCV-UHFFFAOYSA-N
Molecular Weight 320.341 g/mol
SMILES C(C=1C(=CC(=CC1CC(=O)OC(CC#CC)C)OC)OC)(=O)O