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2-Allyl-4-bromo-6-fluoro-benzoic acid
SpectraBase Compound ID DSMdBczwa4M
InChI InChI=1S/C10H8BrFO2/c1-2-3-6-4-7(11)5-8(12)9(6)10(13)14/h2,4-5H,1,3H2,(H,13,14)
InChIKey TTZUVJLOMGSBOV-UHFFFAOYSA-N
Mol Weight 259.07 g/mol
Molecular Formula C10H8BrFO2
Exact Mass 257.969171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GO86saDi5hH
Name 2-Allyl-4-bromo-6-fluoro-benzoic acid
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.969170659 u
Formula C10H8BrFO2
InChI InChI=1S/C10H8BrFO2/c1-2-3-6-4-7(11)5-8(12)9(6)10(13)14/h2,4-5H,1,3H2,(H,13,14)
InChIKey TTZUVJLOMGSBOV-UHFFFAOYSA-N
Instrument Name Waters GCT Premier CAB163
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/anie.201712520
Molecular Weight 259.074 g/mol
Quality 163
SMILES OC(C1=C(CC=C)C=C(C=C1F)Br)=O
SPLASH splash10-000y-0290000000-757aa477a89a8b6118d8
Source of Spectrum ACI-57-SM12-3ma (DOI: 10.1002/anie.201712520)
Wiley ID 1893529