![(Z)-2-[[(Z)-2-azido-3-phenyl-prop-2-enoyl]-propyl-amino]-N-tert-butyl-3-(4-chlorophenyl)-3-hydroxy-prop-2-enamide](/api/spectrum/7EVcrUAwL7e/structure.png?h=300&w=458 "(Z)-2-[[(Z)-2-azido-3-phenyl-prop-2-enoyl]-propyl-amino]-N-tert-butyl-3-(4-chlorophenyl)-3-hydroxy-prop-2-enamide")
| SpectraBase Compound ID | ItDFXQHFY81 |
|---|---|
| InChI | InChI=1S/C25H28ClN5O3/c1-5-15-31(24(34)20(29-30-27)16-17-9-7-6-8-10-17)21(23(33)28-25(2,3)4)22(32)18-11-13-19(26)14-12-18/h6-14,16,32H,5,15H2,1-4H3,(H,28,33)/b20-16-,22-21- |
| InChIKey | LFSDENYLSIJKOX-SBWMAGQMSA-N |
| Mol Weight | 481.98 g/mol |
| Molecular Formula | C25H28ClN5O3 |
| Exact Mass | 481.188067 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7EVcrUAwL7e |
|---|---|
| Name | (Z)-2-[[(Z)-2-azido-3-phenyl-prop-2-enoyl]-propyl-amino]-N-tert-butyl-3-(4-chlorophenyl)-3-hydroxy-prop-2-enamide |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H28ClN5O3 |
| InChI | InChI=1S/C25H28ClN5O3/c1-5-15-31(24(34)20(29-30-27)16-17-9-7-6-8-10-17)21(23(33)28-25(2,3)4)22(32)18-11-13-19(26)14-12-18/h6-14,16,32H,5,15H2,1-4H3,(H,28,33)/b20-16-,22-21- |
| InChIKey | LFSDENYLSIJKOX-SBWMAGQMSA-N |
| Instrument Name | Finnigan Trace |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/acs.joc.1c00735 |
| Molecular Weight | 481.984 g/mol |
| SMILES | N(C(\C(=C\(O)c1ccc(cc1)Cl)N(C(\C(=C\c1ccccc1)N=[N+]=[N-])=O)CCC)=O)C(C)(C)C |
| SPLASH | splash10-0a4u-5931000000-1f1c0cf23a8c5d5d734e |
| Source of Spectrum | JOC-86-10757-5a' |
| Wiley ID | 1867894 |