| SpectraBase Spectrum ID |
E0s8xPmmFnN |
| Name |
2-Mercapto-9-chloro-5,6,7,12-tetrahydropyrimido[5',6':6,7]cyclohepta[b]indole |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H12ClN3S |
| InChI |
InChI=1S/C15H12ClN3S/c16-9-4-5-12-11(6-9)10-3-1-2-8-7-17-15(20)19-13(8)14(10)18-12/h4-7,18H,1-3H2,(H,17,19,20) |
| InChIKey |
ZWVOZQXTLIOOKE-UHFFFAOYSA-N |
| Molecular Weight |
301.795 g/mol |
| SMILES |
[nH]1c2ccc(cc2c2c1-c1nc(ncc1CCC2)S)Cl |
| SPLASH |
splash10-0udi-0009000000-f22e0505cf4c52ba9e36 |
| Source of Spectrum |
F2-47-237-7e |
| Wiley ID |
1706119 |
![2-Mercapto-9-chloro-5,6,7,12-tetrahydropyrimido[5',6':6,7]cyclohepta[b]indole](/api/spectrum/E0s8xPmmFnN/structure.png?h=300&w=458 "2-Mercapto-9-chloro-5,6,7,12-tetrahydropyrimido[5',6':6,7]cyclohepta[b]indole")
