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2,6-Methano-2H-1-benzoxocin-5-ol, 2,8,11-trichloro-5,6-dihydro-, (2.alpha.,5.alpha.,6.beta.,11S*)-
SpectraBase Compound ID 6fjiPg1zd2w
InChI InChI=1S/C12H9Cl3O2/c13-6-1-2-9-7(5-6)10-8(16)3-4-12(15,17-9)11(10)14/h1-5,8,10-11,16H/t8-,10-,11-,12+/m0/s1
InChIKey AOQIAXWEYDSJLC-PDEGPIFNSA-N
Mol Weight 291.56 g/mol
Molecular Formula C12H9Cl3O2
Exact Mass 289.966813 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AIzEcFgTgV
Name 2,6-Methano-2H-1-benzoxocin-5-ol, 2,8,11-trichloro-5,6-dihydro-, (2.alpha.,5.alpha.,6.beta.,11S*)-
CAS Registry Number 83098-63-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9Cl3O2
InChI InChI=1S/C12H9Cl3O2/c13-6-1-2-9-7(5-6)10-8(16)3-4-12(15,17-9)11(10)14/h1-5,8,10-11,16H/t8-,10-,11-,12+/m0/s1
InChIKey AOQIAXWEYDSJLC-PDEGPIFNSA-N
Molecular Weight 291.561 g/mol
SMILES O[C@]1(C=C[C@]2(Oc3ccc(cc3[C@@]1([C@@]2(Cl)[H])[H])Cl)Cl)[H]
SPLASH splash10-0006-2590000000-c6aadc9b61c6fbfcf840
Source of Spectrum H-65-1009-0
Synonyms (1R,9S,12S,13S)-4,9,13-trichloro-8-oxatricyclo[7.3.1.0(2,7)]trideca-2,4,6,10-tetraen-12-ol 2,8,11(c(4))-trichloro-2,6-methano-5,6-dihydro-2H-benz[b]oxocin-5endo-ol
Wiley ID 1293106