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6,8-Dibromo-5-isobutyl-7-methoxy-6',6'-dimethylspiro[2H-1-benzopyran-2,2'-bicyclo[3.1.1]heptane]-4(3H)-one
SpectraBase Compound ID B8wWAnOsVK3
InChI InChI=1S/C22H28Br2O3/c1-11(2)8-13-16-14(25)10-22(7-6-12-9-15(22)21(12,3)4)27-19(16)18(24)20(26-5)17(13)23/h11-12,15H,6-10H2,1-5H3/t12-,15?,22-/m1/s1
InChIKey LDONDBGUZSMKAG-HXFACYKOSA-N
Mol Weight 500.27 g/mol
Molecular Formula C22H28Br2O3
Exact Mass 498.040521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AgnnbYDFPch
Name 6,8-Dibromo-5-isobutyl-7-methoxy-6',6'-dimethylspiro[2H-1-benzopyran-2,2'-bicyclo[3.1.1]heptane]-4(3H)-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28Br2O3
InChI InChI=1S/C22H28Br2O3/c1-11(2)8-13-16-14(25)10-22(7-6-12-9-15(22)21(12,3)4)27-19(16)18(24)20(26-5)17(13)23/h11-12,15H,6-10H2,1-5H3/t12-,15?,22-/m1/s1
InChIKey LDONDBGUZSMKAG-HXFACYKOSA-N
Molecular Weight 500.271 g/mol
SMILES c12c(c(CC(C)C)c(c(c2Br)OC)Br)C(=O)C[C@@]2(O1)C1C(C)(C)[C@](CC2)(C1)[H]
SPLASH splash10-0006-9003000000-3909b7233a652a992974
Source of Spectrum J-59-6701-17
Synonyms (S)-6,8-Dibromo-5-isobutyl-7-methoxy-6',6'-dimethylspiro[2H-1-benzopyran-2,2'-bicyclo[3.1.1]heptane]-4(3H)-one 6,8-Dibromo-7-methoxy-6',6'-dimethyl-5-(2-methylpropyl)-3,4-dihydrospiro[1-benzopyran-2,2'-bicyclo[3.1.1]heptane]-4-one
Wiley ID 1398492