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2,4-Dihydroxy-3,5-dibromo-6-pentylbenzoic acid
SpectraBase Compound ID EYbMiO4fvyV
InChI InChI=1S/C12H14Br2O4/c1-2-3-4-5-6-7(12(17)18)10(15)9(14)11(16)8(6)13/h15-16H,2-5H2,1H3,(H,17,18)
InChIKey KMWZZLSOVGGJNG-UHFFFAOYSA-N
Mol Weight 382.05 g/mol
Molecular Formula C12H14Br2O4
Exact Mass 379.925885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AdrdLxuj00e
Name 2,4-Dihydroxy-3,5-dibromo-6-pentylbenzoic acid
CAS Registry Number 86791-41-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14Br2O4
InChI InChI=1S/C12H14Br2O4/c1-2-3-4-5-6-7(12(17)18)10(15)9(14)11(16)8(6)13/h15-16H,2-5H2,1H3,(H,17,18)
InChIKey KMWZZLSOVGGJNG-UHFFFAOYSA-N
Molecular Weight 382.048 g/mol
SMILES Oc1c(c(c(C(=O)O)c(c1Br)CCCCC)O)Br
SPLASH splash10-001u-0589000000-f2d76dfea1fbf5aa1bab
Source of Spectrum W5-1989-35603-29933
Synonyms 3,5-Dibromo-2,4-dihydroxy-6-pentylbenzoic acid
Wiley ID 1359447