SpectraBase Spectrum ID |
EN8g7in1ZVg |
Name |
(5S*,6R*)-5-(4-Methoxybenzoyl)-6-methyl-6-p-tolyl-6,7-dihydro-5H-[1,2,3]triazolo[5,1-b][1,3,4]thiadiazine-3-carboxylic acid ethyl ester |
Appearance |
White powder |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C23H24N4O4S |
InChI |
InChI=1S/C23H24N4O4S/c1-5-31-22(29)18-21-27(26-24-18)25-23(3,16-10-6-14(2)7-11-16)20(32-21)19(28)15-8-12-17(30-4)13-9-15/h6-13,20,25H,5H2,1-4H3/t20-,23-/m1/s1 |
InChIKey |
MAHXTRXGJZFCKV-NFBKMPQASA-N |
Instrument Name |
GCMS-QP2010 Ultra |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/jhet.2554 |
Molecular Weight |
452.529 g/mol |
SMILES |
N1[n]2c(S[C@@]([C@]1(c1ccc(cc1)C)C)(C(c1ccc(cc1)OC)=O)[H])c(nn2)C(=O)OCC |
SPLASH |
splash10-00kr-3900000000-55a5b65c0301fe0d76f5 |
Source of Spectrum |
Y-54-143-8e |
Wiley ID |
1877777 |