| SpectraBase Spectrum ID |
FZmmloO9mEX |
| Name |
2-(3-Methoxymethylhept-2-en-1-yl)aniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
233.177964364 u |
| Formula |
C15H23NO |
| InChI |
InChI=1S/C15H23NO/c1-3-4-7-13(12-17-2)10-11-14-8-5-6-9-15(14)16/h5-6,8-10H,3-4,7,11-12,16H2,1-2H3/b13-10+ |
| InChIKey |
RWFFLXNZNJWZOK-JLHYYAGUSA-N |
| Molecular Weight |
233.355 g/mol |
| SMILES |
C(\C=C\(COC)CCCC)C=1C(N)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810904 |
