![{[2-(diethylamino)ethyl]thio}phenylacetic acid, veratryl ester, citrate(1:1)](/api/spectrum/9LRgcZoRqZB/structure.png?h=300&w=458 "{[2-(diethylamino)ethyl]thio}phenylacetic acid, veratryl ester, citrate(1:1)")
| SpectraBase Compound ID | 6CXnmc8bk5p |
|---|---|
| InChI | InChI=1S/C23H31NO4S.C6H8O7/c1-5-24(6-2)14-15-29-22(19-10-8-7-9-11-19)23(25)28-17-18-12-13-20(26-3)21(16-18)27-4;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-13,16,22H,5-6,14-15,17H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | QQKHZPMMQVTPCM-UHFFFAOYSA-N |
| Mol Weight | 609.69 g/mol |
| Molecular Formula | C29H39NO11S |
| Exact Mass | 609.224382 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9LRgcZoRqZB |
|---|---|
| Name | {[2-(diethylamino)ethyl]thio}phenylacetic acid, veratryl ester, citrate(1:1) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H39NO11S |
| InChI | InChI=1S/C23H31NO4S.C6H8O7/c1-5-24(6-2)14-15-29-22(19-10-8-7-9-11-19)23(25)28-17-18-12-13-20(26-3)21(16-18)27-4;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-13,16,22H,5-6,14-15,17H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | QQKHZPMMQVTPCM-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 31525M |
| Solvent | CDCl3 |