| SpectraBase Compound ID | E6zdUcrZBdR |
|---|---|
| InChI | InChI=1S/C19H32N4O14S3/c1-12(35-18(24)15(23(2,3)4)6-5-9-22-19(20)21)17(37-40(31,32)33)13-7-8-16(36-39(28,29)30)14(10-13)11-34-38(25,26)27/h7-8,10,12,15,17H,5-6,9,11H2,1-4H3,(H6-,20,21,22,25,26,27,28,29,30,31,32,33)/p-1 |
| InChIKey | XIQDCHGBWAVHIQ-UHFFFAOYSA-M |
| Mol Weight | 635.65 g/mol |
| Molecular Formula | C19H31N4O14S3 |
| Exact Mass | 635.09989 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3STtsBAgsJV |
|---|---|
| Name | MICROGUANIDINE_KT_636 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H31N4O14S3 |
| InChI | InChI=1S/C19H32N4O14S3/c1-12(35-18(24)15(23(2,3)4)6-5-9-22-19(20)21)17(37-40(31,32)33)13-7-8-16(36-39(28,29)30)14(10-13)11-34-38(25,26)27/h7-8,10,12,15,17H,5-6,9,11H2,1-4H3,(H6-,20,21,22,25,26,27,28,29,30,31,32,33)/p-1 |
| InChIKey | XIQDCHGBWAVHIQ-UHFFFAOYSA-M |
| Literature Reference Author | M.LIFSHITS,S.CARMELI |
| Literature Reference Citation | J.NAT.PROD.,75,209(2012) |
| Literature Reference DOI | 10.1021/np200909x |
| Molecular Weight | 635.654 g/mol |
| Sample ID | 40027 |
| Solvent | DMSO-D6 |