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5-Bromo-2-methoxybenzyl alcohol, heptafluorobutyrate

View entire compound with spectra: 1 FTIR

5-Bromo-2-methoxybenzyl alcohol, heptafluorobutyrate
SpectraBase Compound ID F5fLS1PYXHD
InChI InChI=1S/C12H8BrF7O3/c1-22-8-3-2-7(13)4-6(8)5-23-9(21)10(14,15)11(16,17)12(18,19)20/h2-4H,5H2,1H3
InChIKey OUUHVZYKCFJKDH-UHFFFAOYSA-N
Mol Weight 413.09 g/mol
Molecular Formula C12H8BrF7O3
Exact Mass 411.954504 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IQ4yriCk9Kh
Name 5-Bromo-2-methoxybenzyl alcohol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.954504256 u
Formula C12H8BrF7O3
InChI InChI=1S/C12H8BrF7O3/c1-22-8-3-2-7(13)4-6(8)5-23-9(21)10(14,15)11(16,17)12(18,19)20/h2-4H,5H2,1H3
InChIKey OUUHVZYKCFJKDH-UHFFFAOYSA-N
Molecular Weight 413.086 g/mol
SMILES C1(=C(C=CC(=C1)Br)OC)COC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876972