| SpectraBase Spectrum ID |
LqH7kh0oRzZ |
| Name |
6-Thia-2,3,8-triazabicyclo[3.2.1]oct-3-ene-4-carboxylic acid, 5-methyl-2-phenyl-, 1,1-dimethylethyl ester |
| CAS Registry Number |
79043-70-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H21N3O2S |
| InChI |
InChI=1S/C16H21N3O2S/c1-15(2,3)21-14(20)13-16(4)17-12(10-22-16)19(18-13)11-8-6-5-7-9-11/h5-9,12,17H,10H2,1-4H3 |
| InChIKey |
XJUURSFMPLZJSL-UHFFFAOYSA-N |
| Molecular Weight |
319.423 g/mol |
| SMILES |
N1C2N(N=C(C1(SC2)C)C(OC(C)(C)C)=O)c1ccccc1 |
| SPLASH |
splash10-00kb-5950000000-4eb837425fc0828e7957 |
| Source of Spectrum |
K-115-35-0 |
| Synonyms |
tert-Butyl 5-methyl-2-phenyl-6-thia-2,3,8-triazabicyclo[3.2.1]oct-3-ene-4-carboxylate
tert-Butyl ester of 5-methyl-2-phenyl-6-thia-2,3,8-triazabicyclo[3.2.1]oct-3-en-4-carboxylic acid |
| Wiley ID |
1319290 |
![6-Thia-2,3,8-triazabicyclo[3.2.1]oct-3-ene-4-carboxylic acid, 5-methyl-2-phenyl-, 1,1-dimethylethyl ester](/api/spectrum/LqH7kh0oRzZ/structure.png?h=300&w=458 "6-Thia-2,3,8-triazabicyclo[3.2.1]oct-3-ene-4-carboxylic acid, 5-methyl-2-phenyl-, 1,1-dimethylethyl ester")
