| SpectraBase Spectrum ID |
6E4Pp4ZZXcE |
| Name |
cis-5-Cyano-1-(4-T-butylphenyl)pent-4-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
227.167399680 u |
| Formula |
C16H21N |
| InChI |
InChI=1S/C16H21N/c1-16(2,3)15-11-9-14(10-12-15)8-6-4-5-7-13-17/h5,7,9-12H,4,6,8H2,1-3H3/b7-5- |
| InChIKey |
XYPXOUJWFJUOHS-ALCCZGGFSA-N |
| Molecular Weight |
227.351 g/mol |
| SMILES |
C(#N)\C=C/CCCC=1C=CC(C(C)(C)C)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846817 |
