| SpectraBase Spectrum ID |
B0Wba5xf2Rc |
| Name |
5-Benzoyl-[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 © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H24N4O3S |
| InChI |
InChI=1S/C20H24N4O3S/c1-2-27-19(26)15-18-24(23-21-15)22-20(12-8-3-4-9-13-20)17(28-18)16(25)14-10-6-5-7-11-14/h5-7,10-11,17,22H,2-4,8-9,12-13H2,1H3 |
| InChIKey |
YKSHRAKNJOMIEW-UHFFFAOYSA-N |
| Instrument Name |
GCMS-QP2010 Ultra |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.2554 |
| Molecular Weight |
400.497 g/mol |
| SMILES |
N1[n]2nnc(c2SC(C11CCCCCC1)C(c1ccccc1)=O)C(=O)OCC |
| SPLASH |
splash10-0a6r-9800000000-7477142e262086dfd42e |
| Source of Spectrum |
Y-54-146-9i |
| Wiley ID |
1877793 |
![5-Benzoyl-[5,7-dihydrospiro[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-6,1'-cycloheptane-3-carboxylic acid ethyl ester](/api/spectrum/B0Wba5xf2Rc/structure.png?h=300&w=458 "5-Benzoyl-[5,7-dihydrospiro[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-6,1'-cycloheptane-3-carboxylic acid ethyl ester")
