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2-METHOXYCARBONYL-8A-METHYL-3,3A-DIPHENYL-4,7,8,8A-TETRAHYDRO-4,8-ETHENOAZULEN-1(3AH)-ONE
SpectraBase Compound ID K2uGplEDvuE
InChI InChI=1S/C27H26O3/c1-18-19-14-9-15-22(17-16-19)23(20-10-5-3-6-11-20)24(21-12-7-4-8-13-21)25(26(18)28)27(29)30-2/h3-13,15-19,22-23H,14H2,1-2H3/b25-24+/t18-,19+,22-,23+/m0/s1
InChIKey NWQDWKLZKSYZHA-RTTFYCGBSA-N
Mol Weight 398.5 g/mol
Molecular Formula C27H26O3
Exact Mass 398.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JmAB6VrN9zo
Name 2-METHOXYCARBONYL-8A-METHYL-3,3A-DIPHENYL-4,7,8,8A-TETRAHYDRO-4,8-ETHENOAZULEN-1(3AH)-ONE
Compound Number 8AG
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H26O3
InChI InChI=1S/C27H26O3/c1-18-19-14-9-15-22(17-16-19)23(20-10-5-3-6-11-20)24(21-12-7-4-8-13-21)25(26(18)28)27(29)30-2/h3-13,15-19,22-23H,14H2,1-2H3/b25-24+/t18-,19+,22-,23+/m0/s1
InChIKey NWQDWKLZKSYZHA-RTTFYCGBSA-N
Literature Reference Author T.JIKYO,M.ETO,K.HARANO
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3463(1998)
Literature Reference DOI 10.1039/a804671i
Molecular Weight 398.502 g/mol
Solvent CDCl3
Source File Reference UWSI7356