| SpectraBase Spectrum ID |
Gpfx3ofEpIs |
| Name |
1,3-Dithiane-2-pentanoic acid, .gamma.-nitro-2-phenyl-, ethyl ester |
| Alternate Name(s) |
Ethyl 4-nitro-5-(2-phenyl-1,3-dithian-2-yl)pentanoate
Ethyl-4-nitro-6-phenyl-6,6-(trimethylenedithio)hexanoate |
| CAS Registry Number |
78551-15-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H23NO4S2 |
| InChI |
InChI=1S/C17H23NO4S2/c1-2-22-16(19)10-9-15(18(20)21)13-17(23-11-6-12-24-17)14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3 |
| InChIKey |
UDUUOCGOXFFQHM-UHFFFAOYSA-N |
| Molecular Weight |
369.494 g/mol |
| SMILES |
C1(CC(N(=O)=O)CCC(=O)OCC)(SCCCS1)c1ccccc1 |
| SPLASH |
splash10-0a4i-4924000000-90b84e803eb6020f8484 |
| Source of Spectrum |
H-67-280-0 |
| Wiley ID |
1353551 |
