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(1R,2R,6R,8S)-2-(benzoyloxy)-4-(methoxycarbonyl)-8-phenyl-7,9-dioxabicyclo[4.3.0]non-3-ene
SpectraBase Compound ID 28tGe1SfdMb
InChI InChI=1S/C22H20O6/c1-25-20(23)16-12-17(26-21(24)14-8-4-2-5-9-14)19-18(13-16)27-22(28-19)15-10-6-3-7-11-15/h2-12,17-19,22H,13H2,1H3/t17-,18-,19+,22+/m1/s1
InChIKey AFTZNGBZJBIZCY-IWQHBPENSA-N
Mol Weight 380.4 g/mol
Molecular Formula C22H20O6
Exact Mass 380.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7EMcKzvPWTc
Name (1R,2R,6R,8S)-2-(Benzoyloxy)-4-(methoxycarbonyl)-8-phenyl-7,9-dioxabicyclo[4.3.0]non-3-ene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.125988358 u
Formula C22H20O6
InChI InChI=1S/C22H20O6/c1-25-20(23)16-12-17(26-21(24)14-8-4-2-5-9-14)19-18(13-16)27-22(28-19)15-10-6-3-7-11-15/h2-12,17-19,22H,13H2,1H3/t17-,18-,19+,22+/m1/s1
InChIKey AFTZNGBZJBIZCY-IWQHBPENSA-N
Molecular Weight 380.396 g/mol
SMILES [C@@]12(O[C@](O[C@@]2(CC(=C[C@]1(OC(=O)C1=CC=CC=C1)[H])C(=O)OC)[H])(C1=CC=CC=C1)[H])[H]