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5,2,9-Ethanylylidene-1-benzoxepin-11-one, 3,7,8-trichloro-2,5,5a,8,9,9a-hexahydro-, (2.alpha.,5.alpha.,5a.beta.,8.beta.,9.alpha.,9a.beta.,10S*)-

View entire compound with spectra: 1 MS (GC)

5,2,9-Ethanylylidene-1-benzoxepin-11-one, 3,7,8-trichloro-2,5,5a,8,9,9a-hexahydro-, (2.alpha.,5.alpha.,5a.beta.,8.beta.,9.alpha.,9a.beta.,10S*)-
SpectraBase Compound ID LYzqWeEstom
InChI InChI=1S/C12H9Cl3O2/c13-5-2-4-8-10(16)3-1-6(14)12(8)17-11(4)7(3)9(5)15/h1-4,7-9,11-12H
InChIKey LBKASMIROUDKHS-UHFFFAOYSA-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 Kkyy3pEgHNE
Name 5,2,9-Ethanylylidene-1-benzoxepin-11-one, 3,7,8-trichloro-2,5,5a,8,9,9a-hexahydro-, (2.alpha.,5.alpha.,5a.beta.,8.beta.,9.alpha.,9a.beta.,10S*)-
CAS Registry Number 83098-62-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9Cl3O2
InChI InChI=1S/C12H9Cl3O2/c13-5-2-4-8-10(16)3-1-6(14)12(8)17-11(4)7(3)9(5)15/h1-4,7-9,11-12H
InChIKey LBKASMIROUDKHS-UHFFFAOYSA-N
Molecular Weight 291.561 g/mol
SMILES C12C(C3C4C(C2C=C(C4Cl)Cl)OC1C(=C3)Cl)=O
SPLASH splash10-00b9-2920000000-a28149cba0b3f5dfc677
Source of Spectrum H-65-1008-0
Synonyms 6,7,12-trichloro-10-oxatetracyclo[6.5.0.0(3,11).0(4,9)]trideca-5,12-dien-2-one 6,7exo,-12-trichloro-10-oxatetracyclo[6.5.0.0(3,11).0(4,9)]trideca-5,12-dien-2-one
Wiley ID 1293104