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Cymobarbatol - acetate
SpectraBase Compound ID KbGae0Y6n2F
InChI InChI=1S/C18H22Br2O3/c1-10(21)22-14-7-11-8-15-17(2,3)16(20)5-6-18(15,4)23-13(11)9-12(14)19/h7,9,15-16H,5-6,8H2,1-4H3
InChIKey LRNAZFPBIYDKPJ-UHFFFAOYSA-N
Mol Weight 446.18 g/mol
Molecular Formula C18H22Br2O3
Exact Mass 443.993571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbC7k9MHieO
Name Cymobarbatol - acetate
Alternate Name(s) 3,7-Dibromo-6-acetoxy-4,4,13-trimethyl-(hexahydro)-dibenzo[2,3-b ; 5,6-b']pyran
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Formula C18H22Br2O3
InChI InChI=1S/C18H22Br2O3/c1-10(21)22-14-7-11-8-15-17(2,3)16(20)5-6-18(15,4)23-13(11)9-12(14)19/h7,9,15-16H,5-6,8H2,1-4H3
InChIKey LRNAZFPBIYDKPJ-UHFFFAOYSA-N
Molecular Weight 446.179 g/mol
SMILES C12(C(C(C)(C)C(CC2)Br)Cc2c(O1)cc(c(OC(=O)C)c2)Br)C
SPLASH splash10-0udi-0350900000-2f901ba0eafc5c4d7d50
Source of Spectrum X2-52-1094-3
Wiley ID 1603268