| SpectraBase Spectrum ID |
8jkxyE87aID |
| Name |
1-(5-phenyl-1,2,4-triazin-3-yl)-5-hexyne-1-sulfonic acid 2,2-dimethylpropyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H25N3O3S |
| InChI |
InChI=1S/C20H25N3O3S/c1-5-6-8-13-18(27(24,25)26-15-20(2,3)4)19-22-17(14-21-23-19)16-11-9-7-10-12-16/h1,7,9-12,14,18H,6,8,13,15H2,2-4H3 |
| InChIKey |
QSKMTYXYDRPFQK-UHFFFAOYSA-N |
| Molecular Weight |
387.498 g/mol |
| SMILES |
C(CCCC#C)(S(=O)(=O)OCC(C)(C)C)c1nncc(n1)-c1ccccc1 |
| SPLASH |
splash10-0udi-0920000000-46db9a453b18204b16f5 |
| Source of Spectrum |
E2-50-466-13 |
| Synonyms |
1-(5-phenyl-1,2,4-triazin-3-yl)hex-5-yne-1-sulfonic acid neopentyl ester
2,2-Dimethylpropyl 1-(5-phenyl-1,2,4-triazin-3-yl)hex-5-yne-1-sulfonate |
| Wiley ID |
1555859 |
