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3-Benzodioxole-5-(2,4,8-triene-isobutyl nonaoate)

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3-Benzodioxole-5-(2,4,8-triene-isobutyl nonaoate)
SpectraBase Compound ID DJvGzewqg7G
InChI InChI=1S/C20H24O4/c1-16(2)14-22-20(21)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h4,6-13,16H,3,5,14-15H2,1-2H3/b6-4+,9-7+,10-8+
InChIKey UGIIJGKKURXGFX-FCGWLDPVSA-N
Mol Weight 328.41 g/mol
Molecular Formula C20H24O4
Exact Mass 328.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1pL7qbxJH0G
Name 3-Benzodioxole-5-(2,4,8-triene-isobutyl nonaoate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.167459249 u
Formula C20H24O4
InChI InChI=1S/C20H24O4/c1-16(2)14-22-20(21)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h4,6-13,16H,3,5,14-15H2,1-2H3/b6-4+,9-7+,10-8+
InChIKey UGIIJGKKURXGFX-FCGWLDPVSA-N
Molecular Weight 328.408 g/mol
SMILES C1=C(C=CC=2OCOC12)\C=C\CC\C=C\C=C\C(OCC(C)C)=O