![3,4,5-trimethoxybenzoic acid, ester with 2-chloro-10-{[4-(3-hydroxypropyl)-1-piperazinyl]acetyl-phenothiazine, fumarate(1:2)](/api/spectrum/Kp95Kw0TRvL/structure.png?h=300&w=458 "3,4,5-trimethoxybenzoic acid, ester with 2-chloro-10-{[4-(3-hydroxypropyl)-1-piperazinyl]acetyl-phenothiazine, fumarate(1:2)")
| SpectraBase Compound ID | Avva4xnPq3F |
|---|---|
| InChI | InChI=1S/C31H34ClN3O6S.2C4H4O4/c1-38-25-17-21(18-26(39-2)30(25)40-3)31(37)41-16-6-11-33-12-14-34(15-13-33)20-29(36)35-23-7-4-5-8-27(23)42-28-10-9-22(32)19-24(28)35;2*5-3(6)1-2-4(7)8/h4-5,7-10,17-19H,6,11-16,20H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+ |
| InChIKey | HEUWCGSGXRAPEB-LVEZLNDCSA-N |
| Mol Weight | 844.29 g/mol |
| Molecular Formula | C39H42ClN3O14S |
| Exact Mass | 843.207602 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kp95Kw0TRvL |
|---|---|
| Name | 3,4,5-trimethoxybenzoic acid, ester with 2-chloro-10-{[4-(3-hydroxypropyl)-1-piperazinyl]acetyl-phenothiazine, fumarate(1:2) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H42ClN3O14S |
| InChI | InChI=1S/C31H34ClN3O6S.2C4H4O4/c1-38-25-17-21(18-26(39-2)30(25)40-3)31(37)41-16-6-11-33-12-14-34(15-13-33)20-29(36)35-23-7-4-5-8-27(23)42-28-10-9-22(32)19-24(28)35;2*5-3(6)1-2-4(7)8/h4-5,7-10,17-19H,6,11-16,20H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+ |
| InChIKey | HEUWCGSGXRAPEB-LVEZLNDCSA-N |
| Instrument Name | Varian A-60D |
| Sadtler NMR Number | 17492M |
| Solvent | Polysol |