| SpectraBase Compound ID | EmiEhTJf9pr |
|---|---|
| InChI | InChI=1S/C22H30N4O7S2/c27-7-3-15-14(10-20(32-15)26-6-2-18(29)24-22(26)31)12-35-8-4-16-13(11-34)9-19(33-16)25-5-1-17(28)23-21(25)30/h1-2,5-6,13-16,19-20,27,34H,3-4,7-12H2,(H,23,28,30)(H,24,29,31)/t13-,14+,15+,16-,19-,20+/m1/s1 |
| InChIKey | IFJGBACPPSKVBD-QORYDSDHSA-N |
| Mol Weight | 526.62 g/mol |
| Molecular Formula | C22H30N4O7S2 |
| Exact Mass | 526.155592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FulXCNTYoP7 |
|---|---|
| Name | IFJGBACPPSKVBD-QORYDSDHSA-N |
| Compound Number | 63 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H30N4O7S2 |
| InChI | InChI=1S/C22H30N4O7S2/c27-7-3-15-14(10-20(32-15)26-6-2-18(29)24-22(26)31)12-35-8-4-16-13(11-34)9-19(33-16)25-5-1-17(28)23-21(25)30/h1-2,5-6,13-16,19-20,27,34H,3-4,7-12H2,(H,23,28,30)(H,24,29,31)/t13-,14+,15+,16-,19-,20+/m1/s1 |
| InChIKey | IFJGBACPPSKVBD-QORYDSDHSA-N |
| Literature Reference Author | Z.HUANG,S.A.BENNER |
| Literature Reference Citation | J.ORG.CHEM.,67,3996(2002) |
| Literature Reference DOI | 10.1021/jo0003910 |
| Molecular Weight | 526.623 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU26110 |