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N-Octyl-amphetamine
SpectraBase Compound ID 2rBJSh6UmFg
InChI InChI=1S/C17H29N/c1-3-4-5-6-7-11-14-18-16(2)15-17-12-9-8-10-13-17/h8-10,12-13,16,18H,3-7,11,14-15H2,1-2H3
InChIKey GFOPLUYIKLYLKO-UHFFFAOYSA-N
Mol Weight 247.43 g/mol
Molecular Formula C17H29N
Exact Mass 247.23 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9glq0NpZtfX
Name N-Octyl-amphetamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.229999938 u
Formula C17H29N
InChI InChI=1S/C17H29N/c1-3-4-5-6-7-11-14-18-16(2)15-17-12-9-8-10-13-17/h8-10,12-13,16,18H,3-7,11,14-15H2,1-2H3
InChIKey GFOPLUYIKLYLKO-UHFFFAOYSA-N
Molecular Weight 247.426 g/mol
SMILES C1(CC(NCCCCCCCC)C)=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973881