| SpectraBase Compound ID | z1THKTRCYk |
|---|---|
| InChI | InChI=1S/C26H25Cl3IN3O7/c1-15(31-24(36)39-13-16-8-4-3-5-9-16)22(34)33-20-11-7-6-10-17(20)18(21(33)30)12-19(23(35)38-2)32-25(37)40-14-26(27,28)29/h3-11,15,19H,12-14H2,1-2H3,(H,31,36)(H,32,37)/t15-,19+/m0/s1 |
| InChIKey | AJUWVTYQEYHZPF-HNAYVOBHSA-N |
| Mol Weight | 724.76 g/mol |
| Molecular Formula | C26H25Cl3IN3O7 |
| Exact Mass | 722.980278 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5AHssP3X1fH |
|---|---|
| Name | N-(IN)-L-BENZOXYCARBONYL-ALANYL-2-N-(ALPHA)-2,2,2-TRICHLOROETHOXYCARBONYL-2-IODO-D-TRYPTOPHAN-METHYLESTER |
| Compound Number | 29A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H25Cl3IN3O7 |
| InChI | InChI=1S/C26H25Cl3IN3O7/c1-15(31-24(36)39-13-16-8-4-3-5-9-16)22(34)33-20-11-7-6-10-17(20)18(21(33)30)12-19(23(35)38-2)32-25(37)40-14-26(27,28)29/h3-11,15,19H,12-14H2,1-2H3,(H,31,36)(H,32,37)/t15-,19+/m0/s1 |
| InChIKey | AJUWVTYQEYHZPF-HNAYVOBHSA-N |
| Literature Reference Author | B.B.SNIDER,H.ZENG |
| Literature Reference Citation | J.ORG.CHEM.,68,545(2003) |
| Literature Reference DOI | 10.1021/jo0264980 |
| Molecular Weight | 724.764 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN25401 |