![(2E)-2-butenedioic acid compound with 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-10H-phenothiazine (2:1)](/api/spectrum/78ee2qaApzc/structure.png?h=300&w=458 "(2E)-2-butenedioic acid compound with 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-10H-phenothiazine (2:1)")
| SpectraBase Compound ID | LLMN5ftouTN |
|---|---|
| InChI | InChI=1S/C20H24ClN3S.2C4H4O4/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;2*5-3(6)1-2-4(7)8/h2-3,5-8,15H,4,9-14H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+ |
| InChIKey | DSKIOWHQLUWFLG-LVEZLNDCSA-N |
| Mol Weight | 606.09 g/mol |
| Molecular Formula | C28H32ClN3O8S |
| Exact Mass | 605.159864 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 78ee2qaApzc |
|---|---|
| Name | (2E)-2-butenedioic acid compound with 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-10H-phenothiazine (2:1) |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 605.159863868 u |
| Formula | C28H32ClN3O8S |
| InChI | InChI=1S/C20H24ClN3S.2C4H4O4/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;2*5-3(6)1-2-4(7)8/h2-3,5-8,15H,4,9-14H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+ |
| InChIKey | DSKIOWHQLUWFLG-LVEZLNDCSA-N |
| Molecular Weight | 606.090 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_3700 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12308062 |