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10-Hydroxy-1,6-dimethyl-9-(propan-2-yl)-5,12-dioxatricyclo[9.1.0.04,6]dodecan-8-yl (2E)-3-phenylprop-2-enoate, acetate (isomer 1)

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10-Hydroxy-1,6-dimethyl-9-(propan-2-yl)-5,12-dioxatricyclo[9.1.0.04,6]dodecan-8-yl (2E)-3-phenylprop-2-enoate, acetate (isomer 1)
SpectraBase Compound ID IfH1TkI6W3h
InChI InChI=1S/C26H34O6/c1-16(2)22-19(30-21(28)12-11-18-9-7-6-8-10-18)15-26(5)20(31-26)13-14-25(4)24(32-25)23(22)29-17(3)27/h6-12,16,19-20,22-24H,13-15H2,1-5H3/b12-11+
InChIKey IKGFYEWURKODJJ-VAWYXSNFSA-N
Mol Weight 442.6 g/mol
Molecular Formula C26H34O6
Exact Mass 442.235539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Klc3LYiElNR
Name 10-Hydroxy-1,6-dimethyl-9-(propan-2-yl)-5,12-dioxatricyclo[9.1.0.04,6]dodecan-8-yl (2E)-3-phenylprop-2-enoate, acetate (isomer 1)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.235538809 u
Formula C26H34O6
InChI InChI=1S/C26H34O6/c1-16(2)22-19(30-21(28)12-11-18-9-7-6-8-10-18)15-26(5)20(31-26)13-14-25(4)24(32-25)23(22)29-17(3)27/h6-12,16,19-20,22-24H,13-15H2,1-5H3/b12-11+
InChIKey IKGFYEWURKODJJ-VAWYXSNFSA-N
Molecular Weight 442.552 g/mol
SMILES C1CC2(C)C(C(C(C(CC3(C1O3)C)OC(\C=C\C1=CC=CC=C1)=O)C(C)C)OC(=O)C)O2