| SpectraBase Spectrum ID |
HySUNLVYUcm |
| Name |
2-Methylbenzylamine, N,N-diheptyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.308250260 u |
| Formula |
C22H39N |
| InChI |
InChI=1S/C22H39N/c1-4-6-8-10-14-18-23(19-15-11-9-7-5-2)20-22-17-13-12-16-21(22)3/h12-13,16-17H,4-11,14-15,18-20H2,1-3H3 |
| InChIKey |
UPVZDTIVRAABMW-UHFFFAOYSA-N |
| Molecular Weight |
317.561 g/mol |
| SMILES |
C1=CC(C)=C(C=C1)CN(CCCCCCC)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916638 |
