| SpectraBase Spectrum ID |
AcgRRZA5tXW |
| Name |
(Z)-4-Iodo-3-butyl-5-(4'-methylphenyl)pent-3-en-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.079360360 u |
| Formula |
C16H23IO |
| InChI |
InChI=1S/C16H23IO/c1-4-5-6-15(13(3)18)16(17)11-14-9-7-12(2)8-10-14/h7-10,13,18H,4-6,11H2,1-3H3/b16-15- |
| InChIKey |
LTDVBJRNUIGUIT-NXVVXOECSA-N |
| Molecular Weight |
358.263 g/mol |
| SMILES |
CC(\C(=C\(CC=1C=CC(=CC1)C)I)CCCC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879923 |
