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1,2-Diphenylethylamine cap

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

1,2-Diphenylethylamine cap
SpectraBase Compound ID JNYBzDTus2L
InChI InChI=1S/C20H25NO/c1-2-3-6-15-20(22)21-19(18-13-9-5-10-14-18)16-17-11-7-4-8-12-17/h4-5,7-14,19H,2-3,6,15-16H2,1H3,(H,21,22)
InChIKey SGGKFEBEAJAXRA-UHFFFAOYSA-N
Mol Weight 295.43 g/mol
Molecular Formula C20H25NO
Exact Mass 295.193614 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EASNVAiXgs
Name 1,2-Diphenylethylamine cap
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.193614428 u
Formula C20H25NO
InChI InChI=1S/C20H25NO/c1-2-3-6-15-20(22)21-19(18-13-9-5-10-14-18)16-17-11-7-4-8-12-17/h4-5,7-14,19H,2-3,6,15-16H2,1H3,(H,21,22)
InChIKey SGGKFEBEAJAXRA-UHFFFAOYSA-N
SMILES C(C=1C=CC=CC1)(NC(CCCCC)=O)CC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939781