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2-Methylbenzylamine pfp

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

2-Methylbenzylamine pfp
SpectraBase Compound ID 2eH5E6ugwaa
InChI InChI=1S/C11H10F5NO/c1-7-4-2-3-5-8(7)6-17-9(18)10(12,13)11(14,15)16/h2-5H,6H2,1H3,(H,17,18)
InChIKey NPECYSQQSILBEL-UHFFFAOYSA-N
Mol Weight 267.2 g/mol
Molecular Formula C11H10F5NO
Exact Mass 267.068255 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID INmUeDwY0FG
Name 2-Methylbenzylamine pfp
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.068254760 u
Formula C11H10F5NO
InChI InChI=1S/C11H10F5NO/c1-7-4-2-3-5-8(7)6-17-9(18)10(12,13)11(14,15)16/h2-5H,6H2,1H3,(H,17,18)
InChIKey NPECYSQQSILBEL-UHFFFAOYSA-N
Molecular Weight 267.199 g/mol
SMILES C(C(F)(F)F)(C(NCC=1C(=CC=CC1)C)=O)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.875765