| SpectraBase Spectrum ID |
KEZcyCVcr7i |
| Name |
3-Chloro-6-oxo-5-tolyl-2,5-diazabicyclo[2.2.2[oct-2-enyl thiocyanate |
| Alternate Name(s) |
3-chloro-5-(2-methylphenyl)-6-oxo-2,5-diazabicyclo[2.2.2]oct-2-en-1-yl thiocyanate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H12ClN3OS |
| InChI |
InChI=1S/C14H12ClN3OS/c1-9-4-2-3-5-10(9)18-11-6-7-14(13(18)19,20-8-16)17-12(11)15/h2-5,11H,6-7H2,1H3/t11-,14+/m0/s1 |
| InChIKey |
ORQAFAJCMIMWLF-SMDDNHRTSA-N |
| Molecular Weight |
305.783 g/mol |
| SMILES |
C1(N([C@]2(CC[C@]1(SC#N)N=C2Cl)[H])c1c(C)cccc1)=O |
| SPLASH |
splash10-001i-0900000000-17cca9bd2302c9980faf |
| Source of Spectrum |
F-47-9265-2 |
| Wiley ID |
1307173 |
