| SpectraBase Spectrum ID |
Fp8Zi5W6h1r |
| Name |
2-(2-Chlorophenyl)-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid(3-nitrooxypropanol)ester |
| Appearance |
Pale yellow oily liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H19ClN2O5S |
| InChI |
InChI=1S/C18H19ClN2O5S/c19-15-5-2-1-4-14(15)17(18(22)25-9-3-10-26-21(23)24)20-8-6-16-13(12-20)7-11-27-16/h1-2,4-5,7,11,17H,3,6,8-10,12H2 |
| InChIKey |
XSDITOCLLHZHSE-UHFFFAOYSA-N |
| Ionization Type |
EI |
| Molecular Weight |
410.872 g/mol |
| SMILES |
c12CN(CCc2scc1)C(C(OCCCO[N+]([O-])=O)=O)c1ccccc1Cl |
| SPLASH |
splash10-03dr-4980000000-d374a57f04d41ca91625 |
| Source of Spectrum |
CN101863900A |
| Thin-Layer Chromatography |
Rf = 0.48 (petroleum ether/ethyl acetate, 2:1) |
| Wiley ID |
1843879 |
![2-(2-Chlorophenyl)-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid(3-nitrooxypropanol)ester](/api/spectrum/Fp8Zi5W6h1r/structure.png?h=300&w=458 "2-(2-Chlorophenyl)-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid(3-nitrooxypropanol)ester")
