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5,2,9-Ethanylylidene-1-benzoxepin-11-one, 3,7-dichloro-2,5,5a,6,9,9a-hexahydro-
SpectraBase Compound ID IbC9kEuQYKa
InChI InChI=1S/C12H10Cl2O2/c13-4-1-6-5-3-8(14)12-9(10(5)15)7(2-4)11(6)16-12/h2-3,5-7,9,11-12H,1H2/t5-,6-,7+,9+,11+,12-/m0/s1
InChIKey ULHSTSDQLXCLHH-DOKYJHFNSA-N
Mol Weight 257.12 g/mol
Molecular Formula C12H10Cl2O2
Exact Mass 256.005785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jz9C0hOlSOs
Name 5,2,9-Ethanylylidene-1-benzoxepin-11-one, 3,7-dichloro-2,5,5a,6,9,9a-hexahydro-
CAS Registry Number 83098-64-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10Cl2O2
InChI InChI=1S/C12H10Cl2O2/c13-4-1-6-5-3-8(14)12-9(10(5)15)7(2-4)11(6)16-12/h2-3,5-7,9,11-12H,1H2/t5-,6-,7+,9+,11+,12-/m0/s1
InChIKey ULHSTSDQLXCLHH-DOKYJHFNSA-N
Molecular Weight 257.116 g/mol
SMILES [C@]12(C([C@@]3([C@]4([C@]([C@@]2(C=C(C4)Cl)[H])(O[C@]1(C(=C3)Cl)[H])[H])[H])[H])=O)[H]
SPLASH splash10-0570-3920000000-a124aeb4379421a71cfe
Source of Spectrum H-65-1009-0
Synonyms 6,12-Dichloro-10-oxatetracyclo[6.5.0.0(3,11).0(4,9)]trideca-5,12-dien-2-one
Wiley ID 1259359