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 |