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(.+/-.)-p-methoxyamphetamine, N-heptafluorobutyryl-

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

(.+/-.)-p-methoxyamphetamine, N-heptafluorobutyryl-
SpectraBase Compound ID 9HWGDkrMdfr
InChI InChI=1S/C14H14F7NO2/c1-8(7-9-3-5-10(24-2)6-4-9)22-11(23)12(15,16)13(17,18)14(19,20)21/h3-6,8H,7H2,1-2H3,(H,22,23)
InChIKey NHEGEKGXBFQHBP-UHFFFAOYSA-N
Mol Weight 361.26 g/mol
Molecular Formula C14H14F7NO2
Exact Mass 361.091276 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G5b16kdCBUn
Name (.+/-.)-p-methoxyamphetamine, N-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.091275834 u
Formula C14H14F7NO2
InChI InChI=1S/C14H14F7NO2/c1-8(7-9-3-5-10(24-2)6-4-9)22-11(23)12(15,16)13(17,18)14(19,20)21/h3-6,8H,7H2,1-2H3,(H,22,23)
InChIKey NHEGEKGXBFQHBP-UHFFFAOYSA-N
Molecular Weight 361.260 g/mol
SMILES C1=CC(=CC=C1CC(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)C)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911362