![3,4,5-trimethoxybenzoic acid, 2-{4-[2-(2-chlorophenothiazin-10-yl)-1-methylethyl]-1-piperazinyl}ethyl ester, fumarate(1:2)](/api/spectrum/JNkl15TeLMh/structure.png?h=300&w=458 "3,4,5-trimethoxybenzoic acid, 2-{4-[2-(2-chlorophenothiazin-10-yl)-1-methylethyl]-1-piperazinyl}ethyl ester, fumarate(1:2)")
| SpectraBase Compound ID | Il2NjiF9F06 |
|---|---|
| InChI | InChI=1S/C31H36ClN3O5S.2C4H4O4/c1-21(20-35-24-7-5-6-8-28(24)41-29-10-9-23(32)19-25(29)35)34-13-11-33(12-14-34)15-16-40-31(36)22-17-26(37-2)30(39-4)27(18-22)38-3;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 | ZLQQKEWTEDCLKQ-LVEZLNDCSA-N |
| Mol Weight | 830.3 g/mol |
| Molecular Formula | C39H44ClN3O13S |
| Exact Mass | 829.228337 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JNkl15TeLMh |
|---|---|
| Name | 3,4,5-trimethoxybenzoic acid, 2-{4-[2-(2-chlorophenothiazin-10-yl)-1-methylethyl]-1-piperazinyl}ethyl ester, fumarate(1:2) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H44ClN3O13S |
| InChI | InChI=1S/C31H36ClN3O5S.2C4H4O4/c1-21(20-35-24-7-5-6-8-28(24)41-29-10-9-23(32)19-25(29)35)34-13-11-33(12-14-34)15-16-40-31(36)22-17-26(37-2)30(39-4)27(18-22)38-3;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 | ZLQQKEWTEDCLKQ-LVEZLNDCSA-N |
| Instrument Name | Varian A-60D |
| Sadtler NMR Number | 17490M |
| Solvent | Polysol |