| SpectraBase Spectrum ID |
4b31mQtH37k |
| Name |
12-Iodanyldodecoxymethylbenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.141960617 u |
| Formula |
C19H31IO |
| InChI |
InChI=1S/C19H31IO/c20-16-12-7-5-3-1-2-4-6-8-13-17-21-18-19-14-10-9-11-15-19/h9-11,14-15H,1-8,12-13,16-18H2 |
| InChIKey |
XSXJKRQUQVUBNY-UHFFFAOYSA-N |
| Molecular Weight |
402.360 g/mol |
| SMILES |
C(I)CCCCCCCCCCCOCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941995 |
