| SpectraBase Spectrum ID |
LqOfiU8YPFn |
| Name |
cis-N-(but-3-Enyl)-5-(isopropylphenyl)pent-4-enylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.214349873 u |
| Formula |
C18H27N |
| InChI |
InChI=1S/C18H27N/c1-4-5-14-19-15-10-6-7-11-17-12-8-9-13-18(17)16(2)3/h4,7-9,11-13,16,19H,1,5-6,10,14-15H2,2-3H3/b11-7- |
| InChIKey |
PIMXWCZXFIRJRU-XFFZJAGNSA-N |
| Molecular Weight |
257.421 g/mol |
| SMILES |
C=1(C(\C=C/CCCNCCC=C)=CC=CC1)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93338 |
