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1-(4-Bromobenzyl)-4-piperidinamine, N-heptafluorobutyryl-

View entire compound with spectra: 1 NMR, and 1 FTIR

1-(4-Bromobenzyl)-4-piperidinamine, N-heptafluorobutyryl-
SpectraBase Compound ID BKxFK763dOF
InChI InChI=1S/C16H16BrF7N2O/c17-11-3-1-10(2-4-11)9-26-7-5-12(6-8-26)25-13(27)14(18,19)15(20,21)16(22,23)24/h1-4,12H,5-9H2,(H,25,27)
InChIKey LITDUAIKOJVMEG-UHFFFAOYSA-N
Mol Weight 465.21 g/mol
Molecular Formula C16H16BrF7N2O
Exact Mass 464.033423 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7QL8onpUb5I
Name 1-(4-Bromobenzyl)-4-piperidinamine, N-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.033423283 u
Formula C16H16BrF7N2O
InChI InChI=1S/C16H16BrF7N2O/c17-11-3-1-10(2-4-11)9-26-7-5-12(6-8-26)25-13(27)14(18,19)15(20,21)16(22,23)24/h1-4,12H,5-9H2,(H,25,27)
InChIKey LITDUAIKOJVMEG-UHFFFAOYSA-N
Molecular Weight 465.210 g/mol
SMILES C1(Br)=CC=C(C=C1)CN1CCC(CC1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.802918