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12-Oxotricyclo[5.3.1.1(2,6)]dodeca-3,8-diene, 11-acetoxy-4,5,9-trichloro
SpectraBase Compound ID HakkWMUcfj1
InChI InChI=1S/C14H13Cl3O3/c1-5(18)20-14-8-2-6(15)3-9(14)11-12(17)10(16)4-7(8)13(11)19/h3-4,7-9,11-12,14H,2H2,1H3/t7-,8-,9+,11-,12+,14+/m1/s1
InChIKey CHNYUIFVRQCETN-NQKXOFRASA-N
Mol Weight 335.61 g/mol
Molecular Formula C14H13Cl3O3
Exact Mass 333.993027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EtYIfWqZpzx
Name 12-Oxotricyclo[5.3.1.1(2,6)]dodeca-3,8-diene, 11-acetoxy-4,5,9-trichloro
CAS Registry Number 83098-58-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13Cl3O3
InChI InChI=1S/C14H13Cl3O3/c1-5(18)20-14-8-2-6(15)3-9(14)11-12(17)10(16)4-7(8)13(11)19/h3-4,7-9,11-12,14H,2H2,1H3/t7-,8-,9+,11-,12+,14+/m1/s1
InChIKey CHNYUIFVRQCETN-NQKXOFRASA-N
Molecular Weight 335.614 g/mol
SMILES C1=C([C@@]([C@@]2(C([C@]1([C@]1(CC(=C[C@@]2([C@]1(OC(C)=O)[H])[H])Cl)[H])[H])=O)[H])(Cl)[H])Cl
SPLASH splash10-002f-7940000000-a9b59fbeb6fe4a5e4451
Source of Spectrum CM-1999-10796-0
Synonyms Acetic acid (3,4,9-trichloro-12-oxo-2,3,6,7,8,11-hexahydro-1H-tricyclo[5.3.1.1^{2,6}]dodecan-11-yl) ester (3,4,9-trichloro-12-oxo-2,3,6,7,8,11-hexahydro-1H-tricyclo[5.3.1.1^{2,6}]dodecan-11-yl) acetate [3,4,9-tris(chloranyl)-12-oxidanylidene-2,3,6,7,8,11-hexahydro-1H-tricyclo[5.3.1.1^{2,6}]dodecan-11-yl] ethanoate
Wiley ID 473150