| SpectraBase Spectrum ID |
8AgY6DrqCVf |
| Name |
(E)-14-Iodo-2,2,13-trimethyltetradec-13-en-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.141960617 u |
| Formula |
C17H31IO |
| InChI |
InChI=1S/C17H31IO/c1-15(14-18)12-10-8-6-5-7-9-11-13-16(19)17(2,3)4/h14H,5-13H2,1-4H3/b15-14+ |
| InChIKey |
JOOQSGCYGAEASD-CCEZHUSRSA-N |
| Molecular Weight |
378.338 g/mol |
| SMILES |
C\C(=C/I)CCCCCCCCCC(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951929 |
