| SpectraBase Spectrum ID |
ImrXwS6GT2s |
| Name |
4-(3-Iodo-5-methyl-4-oxo-4,5-dihydrobenzo[b][1,4]thiazepin-2-yl)benzonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H11IN2OS |
| InChI |
InChI=1S/C17H11IN2OS/c1-20-13-4-2-3-5-14(13)22-16(15(18)17(20)21)12-8-6-11(10-19)7-9-12/h2-9H,1H3 |
| InChIKey |
ZYCHLMXFZCVNBW-UHFFFAOYSA-N |
| Molecular Weight |
418.252 g/mol |
| SMILES |
C=1(C(N(c2ccccc2SC1c1ccc(C#N)cc1)C)=O)I |
| SPLASH |
splash10-014l-0050900000-20bf4c596892bafa89d7 |
| Source of Spectrum |
F4-41-3035-2k |
| Wiley ID |
1672740 |
![4-(3-Iodo-5-methyl-4-oxo-4,5-dihydrobenzo[b][1,4]thiazepin-2-yl)benzonitrile](/api/spectrum/ImrXwS6GT2s/structure.png?h=300&w=458 "4-(3-Iodo-5-methyl-4-oxo-4,5-dihydrobenzo[b][1,4]thiazepin-2-yl)benzonitrile")
