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2-Hex-4-ynoyl-3,5-dimethoxy-phenylacetic acid 1-methylpent-3-ynyl ester

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2-Hex-4-ynoyl-3,5-dimethoxy-phenylacetic acid 1-methylpent-3-ynyl ester
SpectraBase Compound ID 5Vekdm7ZeBl
InChI InChI=1S/C22H26O5/c1-6-8-10-12-19(23)22-17(13-18(25-4)15-20(22)26-5)14-21(24)27-16(3)11-9-7-2/h13,15-16H,10-12,14H2,1-5H3
InChIKey AVBNZBDODMFJMQ-UHFFFAOYSA-N
Mol Weight 370.45 g/mol
Molecular Formula C22H26O5
Exact Mass 370.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cyzw0LFU37z
Name 2-hex-4-Ynoyl-3,5-dimethoxy-phenylacetic acid 1-methylpent-3-ynyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.178023932 u
Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-6-8-10-12-19(23)22-17(13-18(25-4)15-20(22)26-5)14-21(24)27-16(3)11-9-7-2/h13,15-16H,10-12,14H2,1-5H3
InChIKey AVBNZBDODMFJMQ-UHFFFAOYSA-N
Molecular Weight 370.445 g/mol
SMILES C=1(C(=C(C=C(C1)OC)OC)C(CCC#CC)=O)CC(=O)OC(CC#CC)C