| SpectraBase Compound ID | AP88lIVWd9C |
|---|---|
| InChI | InChI=1S/C21H21ClN2O8.ClH/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31;/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31);1H/t6-,7-,14-,15-,21-;/m1./s1 |
| InChIKey | GVSJQNRGSCOSNJ-PGYUJEMGSA-N |
| Mol Weight | 501.32 g/mol |
| Molecular Formula | C21H22Cl2N2O8 |
| Exact Mass | 500.075321 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1LTaZMqLj5m |
|---|---|
| Name | DEMETHYLCHLOROTETRACYCLINE-HYDROCHLORIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H22Cl2N2O8 |
| InChI | InChI=1S/C21H21ClN2O8.ClH/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31;/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31);1H/t6-,7-,14-,15-,21-;/m1./s1 |
| InChIKey | GVSJQNRGSCOSNJ-PGYUJEMGSA-N |
| Literature Reference Author | G.L.ASLESON,C.W.FRANK |
| Literature Reference Citation | J.AM.CHEM.SOC.,97,6246(1975) |
| Literature Reference DOI | 10.1021/ja00854a051 |
| Molecular Weight | 501.320 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS10476 |