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3-Phenylpropylamine, N,N-diheptyl-

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

3-Phenylpropylamine, N,N-diheptyl-
SpectraBase Compound ID 2zXkC12XBKo
InChI InChI=1S/C23H41N/c1-3-5-7-9-14-20-24(21-15-10-8-6-4-2)22-16-19-23-17-12-11-13-18-23/h11-13,17-18H,3-10,14-16,19-22H2,1-2H3
InChIKey XYOUXIQWDHRZBG-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 KSdnptwq5uO
Name 3-Phenylpropylamine, N,N-diheptyl-
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/c1-3-5-7-9-14-20-24(21-15-10-8-6-4-2)22-16-19-23-17-12-11-13-18-23/h11-13,17-18H,3-10,14-16,19-22H2,1-2H3
InChIKey XYOUXIQWDHRZBG-UHFFFAOYSA-N
Molecular Weight 331.588 g/mol
SMILES C1=CC=C(C=C1)CCCN(CCCCCCC)CCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940453