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3-Methoxybenzyl alcohol, heptafluorobutyrate

View entire compound with spectra: 1 NMR, and 1 FTIR

3-Methoxybenzyl alcohol, heptafluorobutyrate
SpectraBase Compound ID J1dErABTySS
InChI InChI=1S/C12H9F7O3/c1-21-8-4-2-3-7(5-8)6-22-9(20)10(13,14)11(15,16)12(17,18)19/h2-5H,6H2,1H3
InChIKey CYULHWOWTYRXSB-UHFFFAOYSA-N
Mol Weight 334.19 g/mol
Molecular Formula C12H9F7O3
Exact Mass 334.043991 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cc0XCPqlb9D
Name 3-Methoxybenzyl alcohol, heptafluorobutyrate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.043991288 u
Formula C12H9F7O3
InChI InChI=1S/C12H9F7O3/c1-21-8-4-2-3-7(5-8)6-22-9(20)10(13,14)11(15,16)12(17,18)19/h2-5H,6H2,1H3
InChIKey CYULHWOWTYRXSB-UHFFFAOYSA-N
Molecular Weight 334.190 g/mol
SMILES C1=C(C=CC=C1COC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.820393