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5,2,9-Ethanylylidene-1-benzoxepin-11-ol, 3,7-dichloro-2,5,5a,6,9,9a-hexahydro-, (2.alpha.,5.alpha.,5a.beta.,9.alpha.,9a.beta.,10R*,11R*)-
SpectraBase Compound ID 4hgCFCuDH6x
InChI InChI=1S/C12H12Cl2O2/c13-7-2-6-9-3-4(7)5-1-8(14)12(16-9)10(6)11(5)15/h1-2,4-6,9-12,15H,3H2/t4-,5+,6+,9-,10-,11?,12+/m1/s1
InChIKey YYGQUYRAXCMKDF-FKCVLIBZSA-N
Mol Weight 259.13 g/mol
Molecular Formula C12H12Cl2O2
Exact Mass 258.021435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Xz7WeIpDwj
Name 5,2,9-Ethanylylidene-1-benzoxepin-11-ol, 3,7-dichloro-2,5,5a,6,9,9a-hexahydro-, (2.alpha.,5.alpha.,5a.beta.,9.alpha.,9a.beta.,10R*,11R*)-
CAS Registry Number 83098-51-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12Cl2O2
InChI InChI=1S/C12H12Cl2O2/c13-7-2-6-9-3-4(7)5-1-8(14)12(16-9)10(6)11(5)15/h1-2,4-6,9-12,15H,3H2/t4-,5+,6+,9-,10-,11?,12+/m1/s1
InChIKey YYGQUYRAXCMKDF-FKCVLIBZSA-N
Molecular Weight 259.132 g/mol
SMILES OC1[C@@]2([C@]3(C[C@@]4([C@@]([C@]1([C@@](O4)(C(=C2)Cl)[H])[H])(C=C3Cl)[H])[H])[H])[H]
SPLASH splash10-00vi-5920000000-4415a4c764c0681d20f2
Source of Spectrum H-65-1005-0
Synonyms 6,12-Dichloro-10-oxatetracyclo[6.5.0.0.(3,11).0(4,9)]trideca-5,12-diene-2endo-ol 6,13-dichloro-4-oxatetracyclo[6.5.0.0(3,11).0(5,10)]trideca-6,12-dien-9-ol
Wiley ID 1261362