| SpectraBase Compound ID | 6P91s9qrJ8L |
|---|---|
| InChI | InChI=1S/C12H14ClN5O4/c13-2-9(20)22-6-1-8(21-7(6)3-19)18-5-17-10-11(14)15-4-16-12(10)18/h4-8,19H,1-3H2,(H2,14,15,16)/t6-,7+,8+/m1/s1 |
| InChIKey | DUOXDFFHBGQHIU-CSMHCCOUSA-N |
| Mol Weight | 327.73 g/mol |
| Molecular Formula | C12H14ClN5O4 |
| Exact Mass | 327.073432 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | pcxd3XW1D1 |
|---|---|
| Name | DUOXDFFHBGQHIU-CSMHCCOUSA-N |
| Compound Number | 4L |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C12H14ClN5O4 |
| InChI | InChI=1S/C12H14ClN5O4/c13-2-9(20)22-6-1-8(21-7(6)3-19)18-5-17-10-11(14)15-4-16-12(10)18/h4-8,19H,1-3H2,(H2,14,15,16)/t6-,7+,8+/m1/s1 |
| InChIKey | DUOXDFFHBGQHIU-CSMHCCOUSA-N |
| Literature Reference Author | F.MORIS,V.GOTOR |
| Literature Reference Citation | J.ORG.CHEM.,58,653(1993) |
| Literature Reference DOI | 10.1021/jo00055a018 |
| Molecular Weight | 327.727 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS18868 |