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Tetracyclo[5.3.1.1(2,6).0(3,5)]dodec-8-ene-11,12-dione, 10-(acetyloxy)-4,4,9-trichloro-, (1.alpha.,2.beta.,3.beta.,5.beta.,6.beta.,7.alpha.,10.alpha.)-
SpectraBase Compound ID J8ScvLYnKzC
InChI InChI=1S/C14H11Cl3O4/c1-3(18)21-13-5(15)2-4-6-9-10(14(9,16)17)7(12(6)20)8(13)11(4)19/h2,4,6-10,13H,1H3/t4-,6-,7+,8+,9-,10+,13+/m1/s1
InChIKey XVEHIOXEZOULPL-CBPNDXRMSA-N
Mol Weight 349.6 g/mol
Molecular Formula C14H11Cl3O4
Exact Mass 347.972292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DWuOSyiv3T
Name Tetracyclo[5.3.1.1(2,6).0(3,5)]dodec-8-ene-11,12-dione, 10-(acetyloxy)-4,4,9-trichloro-, (1.alpha.,2.beta.,3.beta.,5.beta.,6.beta.,7.alpha.,10.alpha.)-
Alternate Name(s) (1R,2S,3R,5S,6R,7S,8R)-4,4,9-trichloro-11,12-dioxotetracyclo[5.3.1.1(2,6).0(3,5)]dodec-9-en-8-yl acetate Ester of[anti11,12, syn4,12-4,4,9-trichloro-11,12-dioxotetracyclo[5.3.1.1(2,6).0(3,5)]dodec-8-en-10exo-yl]acetic acid
CAS Registry Number 83098-47-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11Cl3O4
InChI InChI=1S/C14H11Cl3O4/c1-3(18)21-13-5(15)2-4-6-9-10(14(9,16)17)7(12(6)20)8(13)11(4)19/h2,4,6-10,13H,1H3/t4-,6-,7+,8+,9-,10+,13+/m1/s1
InChIKey XVEHIOXEZOULPL-CBPNDXRMSA-N
Molecular Weight 349.597 g/mol
SMILES C1([C@]2([C@@]3([C@@]4([C@@](OC(=O)C)(C(=C[C@@](C4=O)([C@]([C@@]12[H])(C3=O)[H])[H])Cl)[H])[H])[H])[H])(Cl)Cl
SPLASH splash10-0gvo-8940000000-7a6e47c018998b155606
Source of Spectrum H-65-1004-0
Wiley ID 1340297