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N-Methylbenzylamine HFB

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

N-Methylbenzylamine HFB
SpectraBase Compound ID LYO1PTi9bLO
InChI InChI=1S/C12H10F7NO/c1-20(7-8-5-3-2-4-6-8)9(21)10(13,14)11(15,16)12(17,18)19/h2-6H,7H2,1H3
InChIKey ZDIJKIBJYUETGD-UHFFFAOYSA-N
Mol Weight 317.21 g/mol
Molecular Formula C12H10F7NO
Exact Mass 317.065061 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8SlnZ4Mw548
Name N-Benzylmethylamine, N-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.065061086 u
Formula C12H10F7NO
InChI InChI=1S/C12H10F7NO/c1-20(7-8-5-3-2-4-6-8)9(21)10(13,14)11(15,16)12(17,18)19/h2-6H,7H2,1H3
InChIKey ZDIJKIBJYUETGD-UHFFFAOYSA-N
Molecular Weight 317.207 g/mol
SMILES C1=C(C=CC=C1)CN(C)C(=O)C(F)(C(C(F)(F)F)(F)F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885364