SpectraBase Spectrum ID |
3X9E9CukvYv |
Name |
2-Heptanamine, N-(phenylmethylene)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
203.167399680 u |
Formula |
C14H21N |
InChI |
InChI=1S/C14H21N/c1-3-4-6-9-13(2)15-12-14-10-7-5-8-11-14/h5,7-8,10-13H,3-4,6,9H2,1-2H3/b15-12+ |
InChIKey |
QWXBFTSFIWSFFH-NTCAYCPXSA-N |
Molecular Weight |
203.329 g/mol |
SMILES |
C1(\C=N\C(CCCCC)C)=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96738 |