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(3'R,8R)-3'-(4-chlorophenyl)spiro[6,7-dihydrobenzo[7]annulene-8,2'-oxirane]-5,9-quinone
SpectraBase Compound ID IhgNJVaFd97
InChI InChI=1S/C18H13ClO3/c19-12-7-5-11(6-8-12)17-18(22-17)10-9-15(20)13-3-1-2-4-14(13)16(18)21/h1-8,17H,9-10H2/t17-,18+/m1/s1
InChIKey DMJBKPNGQZMJIZ-MSOLQXFVSA-N
Mol Weight 312.75 g/mol
Molecular Formula C18H13ClO3
Exact Mass 312.055322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5iSU50eMUNp
Name (3'R,8R)-3'-(4-chlorophenyl)spiro[6,7-dihydrobenzo[7]annulene-8,2'-oxirane]-5,9-quinone
Compound Number 6C
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Formula C18H13ClO3
InChI InChI=1S/C18H13ClO3/c19-12-7-5-11(6-8-12)17-18(22-17)10-9-15(20)13-3-1-2-4-14(13)16(18)21/h1-8,17H,9-10H2/t17-,18+/m1/s1
InChIKey DMJBKPNGQZMJIZ-MSOLQXFVSA-N
Literature Reference Author G.TOTH,J.HALASZ,S.BOROS,A.LEVAI,C.NEMES,T.PATONAY
Literature Reference Citation MAGN.RES.CHEM.,34,932(1996)
Literature Reference DOI 10.1002/(sici)1097-458x(199611)34:11<932::aid-omr978>3.0.co;2-3
Molecular Weight 312.752 g/mol
Solvent CDCl3
Source File Reference UWCP483