![3,4,5-trimethoxybenzoic acid, ester with 2-chloro-10-{3-[4-(2-hydroxypropyl)-1-piperazinyl]propionyl}phenothiazine, fumarate(1:2)](/api/spectrum/Ju2w3EgTdFi/structure.png?h=300&w=458 "3,4,5-trimethoxybenzoic acid, ester with 2-chloro-10-{3-[4-(2-hydroxypropyl)-1-piperazinyl]propionyl}phenothiazine, fumarate(1:2)")
| SpectraBase Compound ID | 5sJditGRkMi |
|---|---|
| InChI | InChI=1S/C32H36ClN3O6S.2C4H4O4/c1-21(42-32(38)22-17-26(39-2)31(41-4)27(18-22)40-3)20-35-15-13-34(14-16-35)12-11-30(37)36-24-7-5-6-8-28(24)43-29-10-9-23(33)19-25(29)36;2*5-3(6)1-2-4(7)8/h5-10,17-19,21H,11-16,20H2,1-4H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+ |
| InChIKey | NFAWUDMQGLHSIE-LVEZLNDCSA-N |
| Mol Weight | 858.3 g/mol |
| Molecular Formula | C40H44ClN3O14S |
| Exact Mass | 857.223252 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ju2w3EgTdFi |
|---|---|
| Name | 3,4,5-trimethoxybenzoic acid, ester with 2-chloro-10-{3-[4-(2-hydroxypropyl)-1-piperazinyl]propionyl}phenothiazine, fumarate(1:2) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H44ClN3O14S |
| InChI | InChI=1S/C32H36ClN3O6S.2C4H4O4/c1-21(42-32(38)22-17-26(39-2)31(41-4)27(18-22)40-3)20-35-15-13-34(14-16-35)12-11-30(37)36-24-7-5-6-8-28(24)43-29-10-9-23(33)19-25(29)36;2*5-3(6)1-2-4(7)8/h5-10,17-19,21H,11-16,20H2,1-4H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+ |
| InChIKey | NFAWUDMQGLHSIE-LVEZLNDCSA-N |
| Instrument Name | Varian A-60D |
| Sadtler NMR Number | 17493M |
| Solvent | Polysol |