| SpectraBase Compound ID | 18N8qQRo6I7 |
|---|---|
| InChI | InChI=1S/C28H29N5O8S/c1-3-11-41-25-10-9-20(12-26(25)40-2)16-29-31-28(35)24(18-42-17-19-7-5-4-6-8-19)30-27(34)21-13-22(32(36)37)15-23(14-21)33(38)39/h4-10,12-16,24H,3,11,17-18H2,1-2H3,(H,30,34)(H,31,35)/b29-16+ |
| InChIKey | PZODNYAKJATFAC-MUFRIFMGSA-N |
| Mol Weight | 595.63 g/mol |
| Molecular Formula | C28H29N5O8S |
| Exact Mass | 595.173684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B10ZIDpMXZE |
|---|---|
| Name | S-Benzyl-N-(3,5-dinitrobenzoyl)cysteine N'-(3-methoxy-4-propoxybenzylidene)hydrazide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 595.173684080 u |
| Formula | C28H29N5O8S |
| InChI | InChI=1S/C28H29N5O8S/c1-3-11-41-25-10-9-20(12-26(25)40-2)16-29-31-28(35)24(18-42-17-19-7-5-4-6-8-19)30-27(34)21-13-22(32(36)37)15-23(14-21)33(38)39/h4-10,12-16,24H,3,11,17-18H2,1-2H3,(H,30,34)(H,31,35)/b29-16+ |
| InChIKey | PZODNYAKJATFAC-MUFRIFMGSA-N |
| Molecular Weight | 595.627 g/mol |
| SMILES | C1=CC=C(C=C1)CSCC(NC(C1=CC(N(=O)=O)=CC(N(=O)=O)=C1)=O)C(N\N=C\C=1C=C(OC)C(OCCC)=CC1)=O |