SpectraBase Spectrum ID |
BmKO26WVd7M |
Name |
N-(-)-thujylidenephenylethylamine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
255.198699809 u |
Formula |
C18H25N |
InChI |
InChI=1S/C18H25N/c1-13(2)18-11-16(18)14(3)17(12-18)19-10-9-15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3/b19-17- |
InChIKey |
WIHSKQWQJMDSLQ-ZPHPHTNESA-N |
Molecular Weight |
255.405 g/mol |
SMILES |
C1=CC(=CC=C1)CC\N=C\1CC2(CC2C1C)C(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894506 |