| SpectraBase Spectrum ID |
Gun00sMknHV |
| Name |
3-Methyl-1,2,4,5-tetrahydro-3-benzothiepinium iodide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H15IS |
| InChI |
InChI=1S/C11H15S.HI/c1-12-8-6-10-4-2-3-5-11(10)7-9-12;/h2-5H,6-9H2,1H3;1H/q+1;/p-1 |
| InChIKey |
QOPWJWCWAFHJRK-UHFFFAOYSA-M |
| Molecular Weight |
306.205 g/mol |
| SMILES |
[I-].C1[S+](CCc2ccccc2C1)C |
| SPLASH |
splash10-004i-0900000000-864979d344f7e2845896 |
| Source of Spectrum |
G-55-2354-0 |
| Synonyms |
3-iodo-3-methyl-2,3,4,5-tetrahydro-1H-3lambda(4)-benzothiepin
3-Methyl-1,2,4,5-tetrahydro-benzo[d]thiepinium iodide |
| Wiley ID |
748248 |
