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2-Benzofuranacetic acid, 5-bromo-2,3-dihydro-3,3-dimethyl-
SpectraBase Compound ID BBESA5yW5a0
InChI InChI=1S/C12H13BrO3/c1-12(2)8-5-7(13)3-4-9(8)16-10(12)6-11(14)15/h3-5,10H,6H2,1-2H3,(H,14,15)
InChIKey HLKNRSZHOAWVAS-UHFFFAOYSA-N
Mol Weight 285.14 g/mol
Molecular Formula C12H13BrO3
Exact Mass 284.004807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9iNAKGmmFA
Name 2-Benzofuranacetic acid, 5-bromo-2,3-dihydro-3,3-dimethyl-
CAS Registry Number 115941-86-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13BrO3
InChI InChI=1S/C12H13BrO3/c1-12(2)8-5-7(13)3-4-9(8)16-10(12)6-11(14)15/h3-5,10H,6H2,1-2H3,(H,14,15)
InChIKey HLKNRSZHOAWVAS-UHFFFAOYSA-N
Molecular Weight 285.137 g/mol
SMILES OC(CC1C(c2cc(Br)ccc2O1)(C)C)=O
SPLASH splash10-00ei-0090000000-bc2818c783f79b81402c
Source of Spectrum C-110-6506-8
Synonyms (5-bromo-3,3-dimethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid 5-Bromo-2,3-dihydro-3,3-dimethyl-2-benzofuranacetic acid
Wiley ID 1287428