| SpectraBase Compound ID | Ko94eAnqVWl |
|---|---|
| InChI | InChI=1S/C16H14O12S2.2C3H9N3/c17-11-3-2-10(8-12(11)18)15-16(28-30(22,23)24)27-13-4-1-9(7-14(13)26-15)5-6-25-29(19,20)21;2*1-6(2)3(4)5/h1-8,15-18H,(H,19,20,21)(H,22,23,24);2*1-2H3,(H3,4,5)/b6-5+;; |
| InChIKey | DQMJKWDOYRNHKF-TXOOBNKBSA-N |
| Mol Weight | 636.65 g/mol |
| Molecular Formula | C22H32N6O12S2 |
| Exact Mass | 636.151963 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1tRh9wQOLBW |
|---|---|
| Name | X=GUANIDINIUM |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H32N6O12S2 |
| InChI | InChI=1S/C16H14O12S2.2C3H9N3/c17-11-3-2-10(8-12(11)18)15-16(28-30(22,23)24)27-13-4-1-9(7-14(13)26-15)5-6-25-29(19,20)21;2*1-6(2)3(4)5/h1-8,15-18H,(H,19,20,21)(H,22,23,24);2*1-2H3,(H3,4,5)/b6-5+;; |
| InChIKey | DQMJKWDOYRNHKF-TXOOBNKBSA-N |
| Literature Reference Author | Y.H.CHANG,D.SHIN,Z.NA,H.S.LEE,D.D.KIM,K.B.OH,J.SHIN |
| Literature Reference Citation | J.NAT.PROD.,71,779(2008) |
| Literature Reference DOI | 10.1021/np078015z |
| Molecular Weight | 636.649 g/mol |
| Sample ID | 28213 |
| Solvent | DMSO-D6 |