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1,4-Methanonaphthalene-5,8-dione, 4a-acetyl-6,7-dichloro-1,4,4a,8a-tetrahydro-, (1.alpha.,4.alpha.,4a.alpha.,8a.alpha.)-(.+-.)-
SpectraBase Compound ID Ak9os8yhSv5
InChI InChI=1S/C13H10Cl2O3/c1-5(16)13-7-3-2-6(4-7)8(13)11(17)9(14)10(15)12(13)18/h2-3,6-8H,4H2,1H3/t6-,7+,8+,13+/m0/s1
InChIKey FLMKSSZFVKMIAM-DDTBPZFTSA-N
Mol Weight 285.13 g/mol
Molecular Formula C13H10Cl2O3
Exact Mass 284.0007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1Exhxj2v0P
Name 1,4-Methanonaphthalene-5,8-dione, 4a-acetyl-6,7-dichloro-1,4,4a,8a-tetrahydro-, (1.alpha.,4.alpha.,4a.alpha.,8a.alpha.)-(.+-.)-
Alternate Name(s) (1S,2R,7S,8R)-2-acetyl-4,5-dichlorotricyclo[6.2.1.0(2,7)]undeca-4,9-diene-3,6-dione endo-4a-acetyl-2,3-dichloro-4a,5,8,8a-tetrahydro-5,8-methano-1,4-naphthoquinone
CAS Registry Number 79756-02-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10Cl2O3
InChI InChI=1S/C13H10Cl2O3/c1-5(16)13-7-3-2-6(4-7)8(13)11(17)9(14)10(15)12(13)18/h2-3,6-8H,4H2,1H3/t6-,7+,8+,13+/m0/s1
InChIKey FLMKSSZFVKMIAM-DDTBPZFTSA-N
Molecular Weight 285.126 g/mol
SMILES [C@]12(C(C(Cl)=C(C([C@]2([C@]2([H])C[C@]1(C=C2)[H])[H])=O)Cl)=O)C(=O)C
SPLASH splash10-00kf-9060000000-10b02e719a0bbcfe9bc4
Source of Spectrum KC-1981-2674-0
Wiley ID 1287491