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2H-1-Benzopyran-2-one, 7-hydroxy-8-(2-methyl-1-oxobutyl)-5-(2-propenyloxy)-4-propyl-, (.+-.)-

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

2H-1-Benzopyran-2-one, 7-hydroxy-8-(2-methyl-1-oxobutyl)-5-(2-propenyloxy)-4-propyl-, (.+-.)-
SpectraBase Compound ID 7clL8t6uGFw
InChI InChI=1S/C20H24O5/c1-5-8-13-10-16(22)25-20-17(13)15(24-9-6-2)11-14(21)18(20)19(23)12(4)7-3/h6,10-12,21H,2,5,7-9H2,1,3-4H3
InChIKey NDDXLYNGQSAESU-UHFFFAOYSA-N
Mol Weight 344.41 g/mol
Molecular Formula C20H24O5
Exact Mass 344.162374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4DYuQW8LW6d
Name 2H-1-Benzopyran-2-one, 7-hydroxy-8-(2-methyl-1-oxobutyl)-5-(2-propenyloxy)-4-propyl-, (.+-.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.162373868 u
Formula C20H24O5
InChI InChI=1S/C20H24O5/c1-5-8-13-10-16(22)25-20-17(13)15(24-9-6-2)11-14(21)18(20)19(23)12(4)7-3/h6,10-12,21H,2,5,7-9H2,1,3-4H3
InChIKey NDDXLYNGQSAESU-UHFFFAOYSA-N
Molecular Weight 344.407 g/mol
SMILES C1(=C2C(C(CCC)=CC(O2)=O)=C(C=C1O)OCC=C)C(=O)C(CC)C