| SpectraBase Compound ID | Gzx12VYeBKE |
|---|---|
| InChI | InChI=1S/C11H14ClN5O3/c1-4-6(18)11(2,19)9(20-4)17-3-14-5-7(13)15-10(12)16-8(5)17/h3-4,6,9,18-19H,1-2H3,(H2,13,15,16)/t4-,6-,9-,11-/m0/s1 |
| InChIKey | VGXNTNGMCOCQAZ-FNQSPIFHSA-N |
| Mol Weight | 299.72 g/mol |
| Molecular Formula | C11H14ClN5O3 |
| Exact Mass | 299.078517 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 99Y9n6MLdbq |
|---|---|
| Name | TRACHYClADINE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C11H14ClN5O3 |
| InChI | InChI=1S/C11H14ClN5O3/c1-4-6(18)11(2,19)9(20-4)17-3-14-5-7(13)15-10(12)16-8(5)17/h3-4,6,9,18-19H,1-2H3,(H2,13,15,16)/t4-,6-,9-,11-/m0/s1 |
| InChIKey | VGXNTNGMCOCQAZ-FNQSPIFHSA-N |
| Literature Reference Author | P.A.SEARLE,T.F.MOLINSKI |
| Literature Reference Citation | J.ORG.CHEM.,60,4296(1995) |
| Literature Reference DOI | 10.1021/jo00118a059 |
| Molecular Weight | 299.717 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ2278 |