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Tricyclo[5.3.1.1(2,6)]dodeca-3,8-dien-11-one, 12-(acetyloxy)-4,9-dichloro-, (1.alpha.,2.beta.,6.beta.,7.alpha.,12R*)-
SpectraBase Compound ID Fpv3e6rqRK0
InChI InChI=1S/C14H14Cl2O3/c1-6(17)19-14-11-4-8(16)5-12(14)10-3-7(15)2-9(11)13(10)18/h2,5,9-12,14H,3-4H2,1H3/t9-,10-,11+,12+,14-/m1/s1
InChIKey XYYREQGKQOSIHU-VXUPGSCNSA-N
Mol Weight 301.17 g/mol
Molecular Formula C14H14Cl2O3
Exact Mass 300.032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQehWWVC5if
Name Tricyclo[5.3.1.1(2,6)]dodeca-3,8-dien-11-one, 12-(acetyloxy)-4,9-dichloro-, (1.alpha.,2.beta.,6.beta.,7.alpha.,12R*)-
CAS Registry Number 83098-86-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14Cl2O3
InChI InChI=1S/C14H14Cl2O3/c1-6(17)19-14-11-4-8(16)5-12(14)10-3-7(15)2-9(11)13(10)18/h2,5,9-12,14H,3-4H2,1H3/t9-,10-,11+,12+,14-/m1/s1
InChIKey XYYREQGKQOSIHU-VXUPGSCNSA-N
Molecular Weight 301.169 g/mol
SMILES [C@@]12([C@]3([C@](OC(=O)C)([H])[C@]([C@@](C2=O)([H])CC(=C1)Cl)(C=C(C3)Cl)[H])[H])[H]
SPLASH splash10-002f-6941000000-2ecca2b940540a8134ac
Source of Spectrum H-65-1016-0
Synonyms (1S,2S,6R,7R,11R)-4,9-dichloro-12-oxotricyclo[5.3.1.1(2,6)]dodeca-3,8-dien-11-yl acetate [11anti,12-4,9-dichloro-12-oxotricyclo[5.3.1.1(2,6)]dodeca-3,8-dien-11endo-yl]ester of acetic acid [11anti,12-4,9-dichloro-12-oxotricyclo[5.3.1.1(2,6)]dodeca-4,8-dien-11endo-yl]ester of acetic acid
Wiley ID 1302515