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2-Methylresorcinol, bis(heptafluorobutyrate)

View entire compound with spectra: 1 FTIR

2-Methylresorcinol, bis(heptafluorobutyrate)
SpectraBase Compound ID J0Mv0OgEH7t
InChI InChI=1S/C15H6F14O4/c1-5-6(32-8(30)10(16,17)12(20,21)14(24,25)26)3-2-4-7(5)33-9(31)11(18,19)13(22,23)15(27,28)29/h2-4H,1H3
InChIKey ADTUSTWHWGNYRH-UHFFFAOYSA-N
Mol Weight 516.19 g/mol
Molecular Formula C15H6F14O4
Exact Mass 516.004253 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GxYIVyX9Hl2
Name 2-Methylresorcinol, bis(heptafluorobutyrate)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.004252951 u
Formula C15H6F14O4
InChI InChI=1S/C15H6F14O4/c1-5-6(32-8(30)10(16,17)12(20,21)14(24,25)26)3-2-4-7(5)33-9(31)11(18,19)13(22,23)15(27,28)29/h2-4H,1H3
InChIKey ADTUSTWHWGNYRH-UHFFFAOYSA-N
Molecular Weight 516.187 g/mol
SMILES C1(=C(C=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961153