| SpectraBase Compound ID | IJFgPGmp4F2 |
|---|---|
| InChI | InChI=1S/C18H13N3O3S/c22-7-3-8-18-4-9(25-8)20-13-11(18)15-10-6(5-19-12(10)16(13)23)1-2-21(15)14(7)17(18)24/h3,5,9,14,17,24H,1-2,4H2,(H,19,20,23)/p+1/t9-,14+,17-,18+/m0/s1 |
| InChIKey | QJMJSLBHDYZDDN-JRXCTEAYSA-O |
| Mol Weight | 352.39 g/mol |
| Molecular Formula | C18H14N3O3S |
| Exact Mass | 352.075587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LEDh9hPrIWk |
|---|---|
| Name | DISCORHABDIN-L |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H14N3O3S |
| InChI | InChI=1S/C18H13N3O3S/c22-7-3-8-18-4-9(25-8)20-13-11(18)15-10-6(5-19-12(10)16(13)23)1-2-21(15)14(7)17(18)24/h3,5,9,14,17,24H,1-2,4H2,(H,19,20,23)/p+1/t9-,14+,17-,18+/m0/s1 |
| InChIKey | QJMJSLBHDYZDDN-JRXCTEAYSA-O |
| Literature Reference Author | F.REYES,R.MARTIN,A.RUEDA,R.FERNANDEZ,D.MONTALVO,C.GOMEZ,J.M. SANCHEZ-PUELLES |
| Literature Reference Citation | J.NAT.PROD.,67,463(2004) |
| Literature Reference DOI | 10.1021/np0303761 |
| Molecular Weight | 352.387 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWKP4170 |