| SpectraBase Spectrum ID |
tEOPmBK8wF |
| Name |
Hydroxide inner salt hydrate of 1-Acetamido-8-chloro-3-methyl-6-phenyl-4H-s-tri-azolo[4,3-a][1,4]benzodiazepinium |
| CAS Registry Number |
56167-88-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H16ClN5O |
| InChI |
InChI=1S/C19H16ClN5O/c1-12(26)22-19-23-24(2)17-11-21-18(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)19/h3-10H,11H2,1-2H3 |
| InChIKey |
SYVWDHKJGNWFEY-UHFFFAOYSA-N |
| Molecular Weight |
365.824 g/mol |
| SMILES |
c1([n]-2c([n+](n1)C)CN=C(c1c2ccc(Cl)c1)c1ccccc1)\N=C\([O-])C |
| SPLASH |
splash10-0udi-0009000000-3302078cd21e0628630a |
| Source of Spectrum |
J-44-2693-0 |
| Synonyms |
(1Z)-N-(8-chloro-3-methyl-6-phenyl-4H-[1,2,4]triazolo[4,5-a][1,4]benzodiazepin-3-ium-1-yl)ethanimidate |
| Wiley ID |
1351359 |
![Hydroxide inner salt hydrate of 1-Acetamido-8-chloro-3-methyl-6-phenyl-4H-s-tri-azolo[4,3-a][1,4]benzodiazepinium](/api/spectrum/tEOPmBK8wF/structure.png?h=300&w=458 "Hydroxide inner salt hydrate of 1-Acetamido-8-chloro-3-methyl-6-phenyl-4H-s-tri-azolo[4,3-a][1,4]benzodiazepinium")
