| SpectraBase Spectrum ID |
ALnJojho9bP |
| Name |
5-(4-Methylbenzoyl)-[5,7-dihydrospiro[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-6,1'-cyclopentane]-3-carboxylic acid ethyl ester |
| Appearance |
Light purple powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H22N4O3S |
| InChI |
InChI=1S/C19H22N4O3S/c1-3-26-18(25)14-17-23(22-20-14)21-19(10-4-5-11-19)16(27-17)15(24)13-8-6-12(2)7-9-13/h6-9,16,21H,3-5,10-11H2,1-2H3 |
| InChIKey |
YMUSCKYDDNUQPF-UHFFFAOYSA-N |
| Instrument Name |
GCMS-QP2010 Ultra |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2554 |
| Molecular Weight |
386.470 g/mol |
| SMILES |
N1[n]2nnc(c2SC(C11CCCC1)C(c1ccc(cc1)C)=O)C(=O)OCC |
| SPLASH |
splash10-014i-7901000000-8202d785a60100d06621 |
| Source of Spectrum |
Y-54-144-9b |
| Wiley ID |
1877786 |
![5-(4-Methylbenzoyl)-[5,7-dihydrospiro[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-6,1'-cyclopentane]-3-carboxylic acid ethyl ester](/api/spectrum/ALnJojho9bP/structure.png?h=300&w=458 "5-(4-Methylbenzoyl)-[5,7-dihydrospiro[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-6,1'-cyclopentane]-3-carboxylic acid ethyl ester")
