| SpectraBase Spectrum ID |
Iv6TN3ZHHAe |
| Name |
3-Iodo-5-methyl-2-(pyridin-3-yl)-benzo[b][1,4]thiazepin-4(5H)-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H11IN2OS |
| InChI |
InChI=1S/C15H11IN2OS/c1-18-11-6-2-3-7-12(11)20-14(13(16)15(18)19)10-5-4-8-17-9-10/h2-9H,1H3 |
| InChIKey |
HYVPVTNDIYWRGB-UHFFFAOYSA-N |
| Molecular Weight |
394.230 g/mol |
| SMILES |
C=1(C(N(c2ccccc2SC1c1cnccc1)C)=O)I |
| SPLASH |
splash10-00kf-0069000000-742862bd5fbeef8ce920 |
| Source of Spectrum |
F4-41-3035-2m |
| Wiley ID |
1672737 |
![3-Iodo-5-methyl-2-(pyridin-3-yl)-benzo[b][1,4]thiazepin-4(5H)-one](/api/spectrum/Iv6TN3ZHHAe/structure.png?h=300&w=458 "3-Iodo-5-methyl-2-(pyridin-3-yl)-benzo[b][1,4]thiazepin-4(5H)-one")
