| SpectraBase Spectrum ID |
1BbWE8GRtjW |
| Name |
3-Acetoxymethyl-4-(3'-methyl-1',2',4'-triazol-5'-yl)thioquinaldine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H16N4O2S |
| InChI |
InChI=1S/C16H16N4O2S/c1-9-17-15(20-19-9)14-11-6-4-5-7-13(11)18-16(23-3)12(14)8-22-10(2)21/h4-7H,8H2,1-3H3,(H,17,19,20) |
| InChIKey |
JWGJMRLSHDGWOO-UHFFFAOYSA-N |
| Molecular Weight |
328.390 g/mol |
| SMILES |
[nH]1nc(nc1-c1c(c(SC)nc2c1cccc2)COC(=O)C)C |
| SPLASH |
splash10-014i-0090000000-871262aac380ef000e31 |
| Source of Spectrum |
Y-34-1280-12 |
| Synonyms |
[2-(methylsulfanyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)-3-quinolinyl]methyl acetate |
| Wiley ID |
1326035 |
