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5,2,9-Ethanylylidene-1-benzoxepin-11-one, 3,7-dichloro-2,5,5a,8,9,9a-hexahydro-8-hydroxy-, (2.alpha.,5.alpha.,5a.beta.,8.beta.,9.alpha.,9a.beta.,10S*)-
SpectraBase Compound ID BpobZnzPsAL
InChI InChI=1S/C12H10Cl2O3/c13-5-2-4-3-1-6(14)12-7(9(3)15)8(10(5)16)11(4)17-12/h1-4,7-8,10-12,16H/t3-,4-,7+,8-,10?,11+,12-/m1/s1
InChIKey GJUJHBWQQGFKDI-XLGHQTMWSA-N
Mol Weight 273.11 g/mol
Molecular Formula C12H10Cl2O3
Exact Mass 272.0007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5cGrj6sCAFO
Name 5,2,9-Ethanylylidene-1-benzoxepin-11-one, 3,7-dichloro-2,5,5a,8,9,9a-hexahydro-8-hydroxy-, (2.alpha.,5.alpha.,5a.beta.,8.beta.,9.alpha.,9a.beta.,10S*)-
CAS Registry Number 83098-66-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10Cl2O3
InChI InChI=1S/C12H10Cl2O3/c13-5-2-4-3-1-6(14)12-7(9(3)15)8(10(5)16)11(4)17-12/h1-4,7-8,10-12,16H/t3-,4-,7+,8-,10?,11+,12-/m1/s1
InChIKey GJUJHBWQQGFKDI-XLGHQTMWSA-N
Molecular Weight 273.115 g/mol
SMILES OC1C(Cl)=C[C@@]2([C@@]3(C([C@@]4([C@]1([C@]2(O[C@@]4(C(=C3)Cl)[H])[H])[H])[H])=O)[H])[H]
SPLASH splash10-004i-2920000000-bea2e04d610b5bd03ddd
Source of Spectrum H-65-1010-0
Synonyms 6,12-dichloro-5-hydroxy-10-oxatetracyclo[6.5.0.0(3,11).0(4,9)]trideca-6,12-dien-2-one 6,12-Dichloro-5exo-hydroxy-10-oxatetracyclo[6.5.0.0(3,11).0(4,9)]trideca-6,12-dien-2-one
Wiley ID 1275743