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10-Hydroxy-1,6-dimethyl-9-(propan-2-yl)-5,12-dioxatricyclo[9.1.0.04,6]dodecan-8-yl-3-phenylprop-2-enoate (isomer 1)
SpectraBase Compound ID 4s5f4VKQI1k
InChI InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3
InChIKey QFWCWMZSCXWBAK-UHFFFAOYSA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H32O5
Exact Mass 400.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5L3rrLOw653
Name 10-Hydroxy-1,6-dimethyl-9-(propan-2-yl)-5,12-dioxatricyclo[9.1.0.04,6]dodecan-8-yl-3-phenylprop-2-enoate (isomer 1)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.224974125 u
Formula C24H32O5
InChI InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3
InChIKey QFWCWMZSCXWBAK-UHFFFAOYSA-N
Molecular Weight 400.515 g/mol
SMILES C1CC2(C)C(C(C(C(CC3(C1O3)C)OC(\C=C\C1=CC=CC=C1)=O)C(C)C)O)O2