| SpectraBase Spectrum ID |
DJxoWgTrumK |
| Name |
3-Phenyl-8-iodoperhydeoindole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.048394584 u |
| Formula |
C14H18IN |
| InChI |
InChI=1S/C14H18IN/c15-13-8-4-7-11-12(9-16-14(11)13)10-5-2-1-3-6-10/h1-3,5-6,11-14,16H,4,7-9H2/t11-,12?,13+,14+/m1/s1 |
| InChIKey |
YYEJPGJYVFHYPM-KRCVMZOZSA-N |
| Molecular Weight |
327.209 g/mol |
| SMILES |
[C@]12(NCC([C@]2(CCC[C@@]1(I)[H])[H])C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958859 |
