![2-(p-methoxyphenyl)-2-{p-[2-(1-pyrrolidinyl)ethoxy]phenyl}acetophenone, citrate(1:1)(salt), hydrate](/api/spectrum/Edo2sGV5sOe/structure.png?h=300&w=458 "2-(p-methoxyphenyl)-2-{p-[2-(1-pyrrolidinyl)ethoxy]phenyl}acetophenone, citrate(1:1)(salt), hydrate")
| SpectraBase Compound ID | IRqNvfdv8NR |
|---|---|
| InChI | InChI=1S/C27H29NO3.C6H8O7.H2O/c1-30-24-13-9-21(10-14-24)26(27(29)23-7-3-2-4-8-23)22-11-15-25(16-12-22)31-20-19-28-17-5-6-18-28;7-3(8)1-6(13,5(11)12)2-4(9)10;/h2-4,7-16,26H,5-6,17-20H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2 |
| InChIKey | NGMCOVQGUKTWJX-UHFFFAOYSA-N |
| Mol Weight | 625.67 g/mol |
| Molecular Formula | C33H39NO11 |
| Exact Mass | 625.252311 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Edo2sGV5sOe |
|---|---|
| Name | 2-(p-methoxyphenyl)-2-{p-[2-(1-pyrrolidinyl)ethoxy]phenyl}acetophenone, citrate(1:1)(salt), hydrate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H39NO11 |
| InChI | InChI=1S/C27H29NO3.C6H8O7.H2O/c1-30-24-13-9-21(10-14-24)26(27(29)23-7-3-2-4-8-23)22-11-15-25(16-12-22)31-20-19-28-17-5-6-18-28;7-3(8)1-6(13,5(11)12)2-4(9)10;/h2-4,7-16,26H,5-6,17-20H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2 |
| InChIKey | NGMCOVQGUKTWJX-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 44075M |
| Solvent | Polysol-d |