| SpectraBase Spectrum ID |
7DHCk1zG5hU |
| Name |
2-[cyano-(2-cyanophenyl)methyl]-2-(methylthio)-1,3-thiazinane-3-carboxylic acid tert-butyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H23N3O2S2 |
| InChI |
InChI=1S/C19H23N3O2S2/c1-18(2,3)24-17(23)22-10-7-11-26-19(22,25-4)16(13-21)15-9-6-5-8-14(15)12-20/h5-6,8-9,16H,7,10-11H2,1-4H3 |
| InChIKey |
DQGQDCGUKNBTPB-UHFFFAOYSA-N |
| Molecular Weight |
389.532 g/mol |
| SMILES |
C1(N(C(OC(C)(C)C)=O)CCCS1)(C(c1c(C#N)cccc1)C#N)SC |
| SPLASH |
splash10-0006-0090000000-2bbb14ac27e3a2493b24 |
| Source of Spectrum |
Y-33-1789-23 |
| Synonyms |
tert-butyl 2-[cyano-(2-cyanophenyl)methyl]-2-methylsulfanyl-1,3-thiazinane-3-carboxylate |
| Wiley ID |
1364300 |
![2-[cyano-(2-cyanophenyl)methyl]-2-(methylthio)-1,3-thiazinane-3-carboxylic acid tert-butyl ester](/api/spectrum/7DHCk1zG5hU/structure.png?h=300&w=458 "2-[cyano-(2-cyanophenyl)methyl]-2-(methylthio)-1,3-thiazinane-3-carboxylic acid tert-butyl ester")
