| SpectraBase Spectrum ID |
GTmiq9kWIlr |
| Name |
(Z)-2-Propyltetradec-3-enenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.245650002 u |
| Formula |
C17H31N |
| InChI |
InChI=1S/C17H31N/c1-3-5-6-7-8-9-10-11-12-13-15-17(16-18)14-4-2/h13,15,17H,3-12,14H2,1-2H3/b15-13- |
| InChIKey |
CPGWLIMIMBJTCQ-SQFISAMPSA-N |
| Molecular Weight |
249.442 g/mol |
| SMILES |
C(CCCCC\C=C/C(C#N)CCC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895193 |
