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N,N-Di-heptyl-amphetamine

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

N,N-Di-heptyl-amphetamine
SpectraBase Compound ID EVY8us4wCe
InChI InChI=1S/C23H41N/c1-4-6-8-10-15-19-24(20-16-11-9-7-5-2)22(3)21-23-17-13-12-14-18-23/h12-14,17-18,22H,4-11,15-16,19-21H2,1-3H3
InChIKey BRKFSDMKVQBFEI-UHFFFAOYSA-N
Mol Weight 331.6 g/mol
Molecular Formula C23H41N
Exact Mass 331.3239 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Dz9NdBRDkbd
Name N,N-di-Heptyl-amphetamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.323900324 u
Formula C23H41N
InChI InChI=1S/C23H41N/c1-4-6-8-10-15-19-24(20-16-11-9-7-5-2)22(3)21-23-17-13-12-14-18-23/h12-14,17-18,22H,4-11,15-16,19-21H2,1-3H3
InChIKey BRKFSDMKVQBFEI-UHFFFAOYSA-N
Molecular Weight 331.588 g/mol
SMILES C(N(CCCCCCC)CCCCCCC)(CC=1C=CC=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901097