![[(2-piperidinoethyl)thio]phenylacetic acid, isopropyl ester, citrate (1:1) (salt)](/api/spectrum/HkitgJKw9Ms/structure.png?h=300&w=458 "[(2-piperidinoethyl)thio]phenylacetic acid, isopropyl ester, citrate (1:1) (salt)")
| SpectraBase Compound ID | FUG9lMYLDut |
|---|---|
| InChI | InChI=1S/C18H27NO2S.C6H8O7/c1-15(2)21-18(20)17(16-9-5-3-6-10-16)22-14-13-19-11-7-4-8-12-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h3,5-6,9-10,15,17H,4,7-8,11-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | BSMOYAUVCMZNSH-UHFFFAOYSA-N |
| Mol Weight | 513.6 g/mol |
| Molecular Formula | C24H35NO9S |
| Exact Mass | 513.203253 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HkitgJKw9Ms |
|---|---|
| Name | [(2-piperidinoethyl)thio]phenylacetic acid, isopropyl ester, citrate (1:1) (salt) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H35NO9S |
| InChI | InChI=1S/C18H27NO2S.C6H8O7/c1-15(2)21-18(20)17(16-9-5-3-6-10-16)22-14-13-19-11-7-4-8-12-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h3,5-6,9-10,15,17H,4,7-8,11-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | BSMOYAUVCMZNSH-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 37409M |
| Solvent | Polysol |