SpectraBase Spectrum ID |
9FDh63wBVor |
Name |
Benzylbutyl(3-phenylbutyl)amine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
295.229999938 u |
Formula |
C21H29N |
InChI |
InChI=1S/C21H29N/c1-3-4-16-22(18-20-11-7-5-8-12-20)17-15-19(2)21-13-9-6-10-14-21/h5-14,19H,3-4,15-18H2,1-2H3 |
InChIKey |
MFOQQIDQUZDYOL-UHFFFAOYSA-N |
SMILES |
C(N(CCC(C1=CC=CC=C1)C)CCCC)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983956 |