| SpectraBase Spectrum ID |
4kvlEuUOcgx |
| Name |
7-Mercapto-2,4-dimethyl-5H-benzo[b]-[1,4]diazepin-1-ium - Trifluoroacetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H13N2S |
| InChI |
InChI=1S/C11H12N2S/c1-7-5-8(2)13-11-6-9(14)3-4-10(11)12-7/h3-6,13-14H,1-2H3/p+1 |
| InChIKey |
BWRGYISJXPEAEV-UHFFFAOYSA-O |
| Molecular Weight |
205.299 g/mol |
| SMILES |
[NH+]1=C(C=C(C)Nc2c1ccc(c2)S)C |
| SPLASH |
splash10-0udi-6390000000-75c674db17ce820945b5 |
| Source of Spectrum |
F5-1-4348-20b |
| Synonyms |
7-Mercapto-2,4-dimethyl-5H-benzo[b]-[1,4]diazepin-1-ium - Hydrogensulfate
7-Mercapto-2,4-dimethyl-5H-benzo[b]-[1,4]diazepin-1-ium-Hydrogensulfate
7-Mercapto-2,4-dimethyl-5H-benzo[b]-[1,4]diazepin-1-ium-Trifluoroacetate
8-Mercapto-2,4-dimethyl-1H-benzo[b][1,4]diazepin-5-ium |
| Wiley ID |
1731618 |
![7-Mercapto-2,4-dimethyl-5H-benzo[b]-[1,4]diazepin-1-ium - Trifluoroacetate](/api/spectrum/4kvlEuUOcgx/structure.png?h=300&w=458 "7-Mercapto-2,4-dimethyl-5H-benzo[b]-[1,4]diazepin-1-ium - Trifluoroacetate")
