| SpectraBase Spectrum ID |
7FLEp9e6mEn |
| Name |
2-(4-Acetylphenyl)-3-iodo-5-methylbenzo[B][1,4]thiazepin-4(5H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
434.978994867 u |
| Formula |
C18H14INO2S |
| InChI |
InChI=1S/C18H14INO2S/c1-11(21)12-7-9-13(10-8-12)17-16(19)18(22)20(2)14-5-3-4-6-15(14)23-17/h3-10H,1-2H3 |
| InChIKey |
KFVVHKGNUQWPPX-UHFFFAOYSA-N |
| Molecular Weight |
435.279 g/mol |
| SMILES |
C=1(C(N(C2=CC=CC=C2SC1C1=CC=C(C=C1)C(=O)C)C)=O)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912989 |
![2-(4-Acetylphenyl)-3-iodo-5-methylbenzo[b][1,4]thiazepin-4(5H)-one](/api/spectrum/7FLEp9e6mEn/structure.png?h=300&w=458 "2-(4-Acetylphenyl)-3-iodo-5-methylbenzo[b][1,4]thiazepin-4(5H)-one")
