| SpectraBase Spectrum ID |
3gqfO4epl4V |
| Name |
(4E)-2-(N,N-Diethylamino)-4-(1-iodo-2,2-dimethylpropylidene)-4H-benzo[D][1,3]thiazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.062664923 u |
| Formula |
C17H23IN2S |
| InChI |
InChI=1S/C17H23IN2S/c1-6-20(7-2)16-19-13-11-9-8-10-12(13)14(21-16)15(18)17(3,4)5/h8-11H,6-7H2,1-5H3/b15-14+ |
| InChIKey |
DKICXAVZDMMEHE-CCEZHUSRSA-N |
| Molecular Weight |
414.349 g/mol |
| SMILES |
C=1(S\C(C2=C(N1)C=CC=C2)=C\(C(C)(C)C)I)N(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934075 |
![(4E)-2-(N,N-Diethylamino)-4-(1-iodo-2,2-dimethylpropylidene)-4H-benzo[d][1,3]thiazine](/api/spectrum/3gqfO4epl4V/structure.png?h=300&w=458 "(4E)-2-(N,N-Diethylamino)-4-(1-iodo-2,2-dimethylpropylidene)-4H-benzo[d][1,3]thiazine")
