| SpectraBase Spectrum ID |
7r1Xvz7Kq7C |
| Name |
7-Phenyl-7H-[1,4]thiazepino[4,3,2-gh]purin-9(8H)-one |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H10N4OS |
| InChI |
InChI=1S/C14H10N4OS/c19-11-6-10(9-4-2-1-3-5-9)18-8-17-13-12(18)14(20-11)16-7-15-13/h1-5,7-8,10H,6H2 |
| InChIKey |
VQUMYCBMLFZMTL-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GC/MS-QP-5050A |
| Ionization Type |
EI Positive ion |
| Literature Reference DOI |
10.1002/jhet.2969 |
| Molecular Weight |
282.321 g/mol |
| SMILES |
c1(ccccc1)C1CC(Sc2c3[n]1cnc3ncn2)=O |
| SPLASH |
splash10-0kcr-6910000000-db5010bbc01589621e8d |
| Source of Spectrum |
Y-54-SM15-6 |
| Wiley ID |
1880741 |
![7-Phenyl-7H-[1,4]thiazepino[4,3,2-gh]purin-9(8H)-one](/api/spectrum/7r1Xvz7Kq7C/structure.png?h=300&w=458 "7-Phenyl-7H-[1,4]thiazepino[4,3,2-gh]purin-9(8H)-one")
