| SpectraBase Spectrum ID |
EZb8bJXOmsB |
| Name |
5-(4-Methylbenzoyl)-[5,7-dihydrospiro[[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-6,1'-cycloheptane-3-carboxylic acid ethyl ester |
| Appearance |
Beige powder |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26N4O3S |
| InChI |
InChI=1S/C21H26N4O3S/c1-3-28-20(27)16-19-25(24-22-16)23-21(12-6-4-5-7-13-21)18(29-19)17(26)15-10-8-14(2)9-11-15/h8-11,18,23H,3-7,12-13H2,1-2H3 |
| InChIKey |
MSWVMJRFJCBVLH-UHFFFAOYSA-N |
| Instrument Name |
GCMS-QP2010 Ultra |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2554 |
| Molecular Weight |
414.524 g/mol |
| SMILES |
N1[n]2nnc(c2SC(C11CCCCCC1)C(c1ccc(cc1)C)=O)C(=O)OCC |
| SPLASH |
splash10-014i-3900000000-c7c692500c1b552bdeb5 |
| Source of Spectrum |
Y-54-146-9j |
| Wiley ID |
1877794 |
![5-(4-Methylbenzoyl)-[5,7-dihydrospiro[[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-6,1'-cycloheptane-3-carboxylic acid ethyl ester](/api/spectrum/EZb8bJXOmsB/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'-cycloheptane-3-carboxylic acid ethyl ester")
