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5-Acetoxy-11c-chloro-1,4,6,7,11b,11c-hexahydro-5H-benzo[c]benzo[2,3]cyclopropa[1`,2-a]cycloheptene
SpectraBase Compound ID C87B27zFxKT
InChI InChI=1S/C18H19ClO2/c1-12(20)21-15-9-8-13-6-2-3-7-14(13)16-17(15)10-4-5-11-18(16,17)19/h2-7,15-16H,8-11H2,1H3/t15-,16-,17+,18-/m0/s1
InChIKey KJJCOXNLJMYAOI-FJIDUMEYSA-N
Mol Weight 302.8 g/mol
Molecular Formula C18H19ClO2
Exact Mass 302.107358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3b9DmCXTau5
Name 5-Acetoxy-11c-chloro-1,4,6,7,11b,11c-hexahydro-5H-benzo[c]benzo[2,3]cyclopropa[1`,2-a]cycloheptene
Alternate Name(s) (1S,7cS,11aS)-7c-chloro-2,3,7b,7c,8,11-hexahydro-1H-benzo[a]benzo[2,3]cyclopropa[1,2-c]cyclohepten-1-yl acetate (4aS,5S,11bS,11cS)-5-Acetoxy-11c-chloro-1,4,6,7,11b,11c-hexahydro-5H-benzo[c]benzo[2,3]cyclopropa[1`,2-a]cycloheptene
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Formula C18H19ClO2
InChI InChI=1S/C18H19ClO2/c1-12(20)21-15-9-8-13-6-2-3-7-14(13)16-17(15)10-4-5-11-18(16,17)19/h2-7,15-16H,8-11H2,1H3/t15-,16-,17+,18-/m0/s1
InChIKey KJJCOXNLJMYAOI-FJIDUMEYSA-N
Molecular Weight 302.801 g/mol
SMILES [C@]123[C@](Cl)(CC=CC3)[C@]1(c1c(cccc1)CC[C@@]2(OC(=O)C)[H])[H]
SPLASH splash10-001o-0910000000-334ba3aa861cb7d723a5
Source of Spectrum KC-0-2219-14
Wiley ID 786329