| SpectraBase Compound ID | H0rK9Pri53A |
|---|---|
| InChI | InChI=1S/2C17H29N3.4C2H2O4.H2O/c2*1-3-4-10-19-11-13-20(14-12-19)15-16(2)18-17-8-6-5-7-9-17;4*3-1(4)2(5)6;/h2*5-9,16,18H,3-4,10-15H2,1-2H3;4*(H,3,4)(H,5,6);1H2 |
| InChIKey | UXTKEAIIUWFNCM-UHFFFAOYSA-N |
| Mol Weight | 464.515 g/mol |
| Molecular Formula | C21H33N3O8·½H2O |
| Exact Mass | 464.232047 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3G8neGXMQVB |
|---|---|
| Name | 1-(2-anilino-2-methylethyl)-4-butylpiperazine, oxalate(1:2), hemihydrate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H35N3O9 |
| InChI | InChI=1S/2C17H29N3.4C2H2O4.H2O/c2*1-3-4-10-19-11-13-20(14-12-19)15-16(2)18-17-8-6-5-7-9-17;4*3-1(4)2(5)6;/h2*5-9,16,18H,3-4,10-15H2,1-2H3;4*(H,3,4)(H,5,6);1H2 |
| InChIKey | UXTKEAIIUWFNCM-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 37088M |
| Solvent | Polysol |