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N-iso-Butyl-3,4-(difluoromethylene)dioxyphenethylamine

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

N-iso-Butyl-3,4-(difluoromethylene)dioxyphenethylamine
SpectraBase Compound ID 2PnS7iFgka3
InChI InChI=1S/C13H17F2NO2/c1-9(2)8-16-6-5-10-3-4-11-12(7-10)18-13(14,15)17-11/h3-4,7,9,16H,5-6,8H2,1-2H3
InChIKey QJFHWLJWKABOHE-UHFFFAOYSA-N
Mol Weight 257.28 g/mol
Molecular Formula C13H17F2NO2
Exact Mass 257.122735 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8dSCJucahPj
Name N-iso-Butyl-3,4-(difluoromethylene)dioxyphenethylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.122735115 u
Formula C13H17F2NO2
InChI InChI=1S/C13H17F2NO2/c1-9(2)8-16-6-5-10-3-4-11-12(7-10)18-13(14,15)17-11/h3-4,7,9,16H,5-6,8H2,1-2H3
InChIKey QJFHWLJWKABOHE-UHFFFAOYSA-N
Molecular Weight 257.281 g/mol
SMILES C=12C(OC(O2)(F)F)=CC(=CC1)CCNCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946284