| SpectraBase Spectrum ID |
AMyuzND7S3T |
| Name |
2-Iodo-1,3,5-tri-tert-butylbenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.131395934 u |
| Formula |
C18H29I |
| InChI |
InChI=1S/C18H29I/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11H,1-9H3 |
| InChIKey |
NUTILFZRWFXEOL-UHFFFAOYSA-N |
| Molecular Weight |
372.334 g/mol |
| SMILES |
C=1(C(=C(C(C)(C)C)C=C(C(C)(C)C)C1)I)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959422 |
