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3,7-Dimethyloct-6-en-1-yn-3-yl 3',4',5'-trimethoxybenzoate

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

3,7-Dimethyloct-6-en-1-yn-3-yl 3',4',5'-trimethoxybenzoate
SpectraBase Compound ID 3qZpv33FYdJ
InChI InChI=1S/C20H26O5/c1-8-20(4,11-9-10-14(2)3)25-19(21)15-12-16(22-5)18(24-7)17(13-15)23-6/h1,10,12-13H,9,11H2,2-7H3
InChIKey RRYZNWUCARPVSN-UHFFFAOYSA-N
Mol Weight 346.42 g/mol
Molecular Formula C20H26O5
Exact Mass 346.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BBXiPpsroQQ
Name 3,7-Dimethyloct-6-en-1-yn-3-yl 3',4',5'-trimethoxybenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.178023932 u
Formula C20H26O5
InChI InChI=1S/C20H26O5/c1-8-20(4,11-9-10-14(2)3)25-19(21)15-12-16(22-5)18(24-7)17(13-15)23-6/h1,10,12-13H,9,11H2,2-7H3
InChIKey RRYZNWUCARPVSN-UHFFFAOYSA-N
Molecular Weight 346.423 g/mol
SMILES C(C1=CC(OC)=C(C(=C1)OC)OC)(OC(C#C)(CCC=C(C)C)C)=O