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Spiro[benzofuran-2(3H),1'-[2,5]cyclohexadien]-4'-one, 3',5',7-tribromo-5-(hydroxymethyl)-
SpectraBase Compound ID 6P2Coc1GrXj
InChI InChI=1S/C14H9Br3O3/c15-9-2-7(6-18)1-8-3-14(20-13(8)9)4-10(16)12(19)11(17)5-14/h1-2,4-5,18H,3,6H2
InChIKey LNKWAVLAOSVMOE-UHFFFAOYSA-N
Mol Weight 464.94 g/mol
Molecular Formula C14H9Br3O3
Exact Mass 461.810183 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRLohYPCObb
Name Spiro[benzofuran-2(3H),1'-[2,5]cyclohexadien]-4'-one, 3',5',7-tribromo-5-(hydroxymethyl)-
CAS Registry Number 52498-93-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9Br3O3
InChI InChI=1S/C14H9Br3O3/c15-9-2-7(6-18)1-8-3-14(20-13(8)9)4-10(16)12(19)11(17)5-14/h1-2,4-5,18H,3,6H2
InChIKey LNKWAVLAOSVMOE-UHFFFAOYSA-N
Molecular Weight 464.935 g/mol
SMILES OCc1cc2CC3(C=C(C(C(=C3)Br)=O)Br)Oc2c(c1)Br
SPLASH splash10-02t9-0221900000-c2ea50966bf54e57f0f9
Source of Spectrum C-96-2247-5
Synonyms 2',6',7-tribromo-5-(hydroxymethyl)-1'-spiro[3H-benzofuran-2,4'-cyclohexa-2,5-diene]one 2',6',7-tribromo-5-(hydroxymethyl)spiro[3H-1-benzofuran-2,4'-cyclohexa-2,5-diene]-1'-one 2',6',7-tribromo-5-(hydroxymethyl)spiro[3H-benzofuran-2,4'-cyclohexa-2,5-diene]-1'-one 2',6',7-tribromo-5-methylol-spiro[coumaran-2,4'-cyclohexa-2,5-diene]-1'-one 2',6',7-tris(bromanyl)-5-(hydroxymethyl)spiro[3H-1-benzofuran-2,4'-cyclohexa-2,5-diene]-1'-one Thelepin
Wiley ID 1390878