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7-Methoxy-2,2-bis(trifluoromethyl)chroman-4-ol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

7-Methoxy-2,2-bis(trifluoromethyl)chroman-4-ol
SpectraBase Compound ID GXKsln8GJMK
InChI InChI=1S/C12H10F6O3/c1-20-6-2-3-7-8(19)5-10(11(13,14)15,12(16,17)18)21-9(7)4-6/h2-4,8,19H,5H2,1H3
InChIKey KIEIHBKSVXFHMQ-UHFFFAOYSA-N
Mol Weight 316.2 g/mol
Molecular Formula C12H10F6O3
Exact Mass 316.053413 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9r9IRRgqdtt
Name 7-Methoxy-2,2-bis-(trifluoromethyl)-chroman-4-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.053413157 u
Formula C12H10F6O3
InChI InChI=1S/C12H10F6O3/c1-20-6-2-3-7-8(19)5-10(11(13,14)15,12(16,17)18)21-9(7)4-6/h2-4,8,19H,5H2,1H3
InChIKey KIEIHBKSVXFHMQ-UHFFFAOYSA-N
Molecular Weight 316.199 g/mol
SMILES C1(O)CC(C(F)(F)F)(C(F)(F)F)OC=2C1=CC=C(C2)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.874802