![3-Iodo-2,5-dimethyl-benzo[b][1,4]thiazepin-4(5H)-one](/api/spectrum/5cSQ08D2EzR/structure.png?h=300&w=458 "3-Iodo-2,5-dimethyl-benzo[b][1,4]thiazepin-4(5H)-one")
| SpectraBase Compound ID | GeoNrByi8Hn |
|---|---|
| InChI | InChI=1S/C11H10INOS/c1-7-10(12)11(14)13(2)8-5-3-4-6-9(8)15-7/h3-6H,1-2H3 |
| InChIKey | WTIPWQPZINCXTP-UHFFFAOYSA-N |
| Mol Weight | 331.17 g/mol |
| Molecular Formula | C11H10INOS |
| Exact Mass | 330.95278 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5cSQ08D2EzR |
|---|---|
| Name | 3-Iodo-2,5-dimethyl-benzo[b][1,4]thiazepin-4(5H)-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H10INOS |
| InChI | InChI=1S/C11H10INOS/c1-7-10(12)11(14)13(2)8-5-3-4-6-9(8)15-7/h3-6H,1-2H3 |
| InChIKey | WTIPWQPZINCXTP-UHFFFAOYSA-N |
| Molecular Weight | 331.171 g/mol |
| SMILES | C1(C(=C(Sc2c(N1C)cccc2)C)I)=O |
| SPLASH | splash10-0w29-0693000000-41fa6878c97579c9d418 |
| Source of Spectrum | F4-41-3035-2n |
| Wiley ID | 1672735 |