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3-me-4-ma tfa

View entire compound with spectra: 1 FTIR, and 3 MS (GC)

3-me-4-ma tfa
SpectraBase Compound ID gz7qFScfKX
InChI InChI=1S/C13H16F3NO2/c1-8-6-10(4-5-11(8)19-3)7-9(2)17-12(18)13(14,15)16/h4-6,9H,7H2,1-3H3,(H,17,18)
InChIKey VWRFLLFJFRDFTD-UHFFFAOYSA-N
Mol Weight 275.27 g/mol
Molecular Formula C13H16F3NO2
Exact Mass 275.113313 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BdkBEEM92Np
Name 3-me-4-ma tfa
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.113313246 u
Formula C13H16F3NO2
InChI InChI=1S/C13H16F3NO2/c1-8-6-10(4-5-11(8)19-3)7-9(2)17-12(18)13(14,15)16/h4-6,9H,7H2,1-3H3,(H,17,18)
InChIKey VWRFLLFJFRDFTD-UHFFFAOYSA-N
Molecular Weight 275.271 g/mol
SMILES C(C(NC(CC1=CC(=C(C=C1)OC)C)C)=O)(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901892