| SpectraBase Compound ID | E80UDVgJWJ2 |
|---|---|
| InChI | InChI=1S/C26H28ClN3O5/c1-22(2)8-6-12-16-13(10-14(27)17(12)35-22)25(20(33)28-16)18(31)26-15(23(25,3)4)11-24(19(32)29-26)7-5-9-30(24)21(26)34/h6,8,10,15,18,31H,5,7,9,11H2,1-4H3,(H,28,33)(H,29,32)/t15-,18-,24-,25-,26-/m0/s1 |
| InChIKey | TVZRVAVYSDCSKC-IVIWOIKKSA-N |
| Mol Weight | 497.98 g/mol |
| Molecular Formula | C26H28ClN3O5 |
| Exact Mass | 497.171749 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DTUCEuTAVYS |
|---|---|
| Name | 5-CHLOROSCLEROTIAMIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H28ClN3O5 |
| InChI | InChI=1S/C26H28ClN3O5/c1-22(2)8-6-12-16-13(10-14(27)17(12)35-22)25(20(33)28-16)18(31)26-15(23(25,3)4)11-24(19(32)29-26)7-5-9-30(24)21(26)34/h6,8,10,15,18,31H,5,7,9,11H2,1-4H3,(H,28,33)(H,29,32)/t15-,18-,24-,25-,26-/m0/s1 |
| InChIKey | TVZRVAVYSDCSKC-IVIWOIKKSA-N |
| Literature Reference Author | J.PENG,X.Y.ZHANG,Z.C.TU,X.Y.XU,S.H.QI |
| Literature Reference Citation | J.NAT.PROD.,76,983(2013) |
| Literature Reference DOI | 10.1021/np400132m |
| Molecular Weight | 497.978 g/mol |
| Sample ID | 42554 |
| Solvent | DMSO-6 |