| SpectraBase Compound ID | 12vHL8tHmk9 |
|---|---|
| InChI | InChI=1S/C74H112N10O13/c1-71(2,3)94-67(90)79-59(49-54-31-17-13-18-32-54)63(86)75-40-27-45-83(46-28-41-76-64(87)60(50-55-33-19-14-20-34-55)80-68(91)95-72(4,5)6)44-26-25-39-58(53-85)84(47-29-42-77-65(88)61(51-56-35-21-15-22-36-56)81-69(92)96-73(7,8)9)48-30-43-78-66(89)62(52-57-37-23-16-24-38-57)82-70(93)97-74(10,11)12/h13-24,31-38,58-62,85H,25-30,39-53H2,1-12H3,(H,75,86)(H,76,87)(H,77,88)(H,78,89)(H,79,90)(H,80,91)(H,81,92)(H,82,93)/t58-,59?,60?,61?,62?/m0/s1 |
| InChIKey | DMURCBGBNBQEKJ-URRUOHKWSA-N |
| Mol Weight | 1349.8 g/mol |
| Molecular Formula | C74H112N10O13 |
| Exact Mass | 1348.841034 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | aiCqLsouc9 |
|---|---|
| Name | N,N',N,N'-TETRAKIS-(BOC-L-PHENYLALANYL-3-AMINOPROPYL)-L-ALPHA,EPSILON-DIAMINOHEXANOL |
| Compound Number | 9D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C74H112N10O13 |
| InChI | InChI=1S/C74H112N10O13/c1-71(2,3)94-67(90)79-59(49-54-31-17-13-18-32-54)63(86)75-40-27-45-83(46-28-41-76-64(87)60(50-55-33-19-14-20-34-55)80-68(91)95-72(4,5)6)44-26-25-39-58(53-85)84(47-29-42-77-65(88)61(51-56-35-21-15-22-36-56)81-69(92)96-73(7,8)9)48-30-43-78-66(89)62(52-57-37-23-16-24-38-57)82-70(93)97-74(10,11)12/h13-24,31-38,58-62,85H,25-30,39-53H2,1-12H3,(H,75,86)(H,76,87)(H,77,88)(H,78,89)(H,79,90)(H,80,91)(H,81,92)(H,82,93)/t58-,59?,60?,61?,62?/m0/s1 |
| InChIKey | DMURCBGBNBQEKJ-URRUOHKWSA-N |
| Literature Reference Author | P.POLCYN,M.JURCZAK,A.RAJNISZ,J.SOLECKA,Z.URBANCZYK-LIPKOWSKA |
| Literature Reference Citation | MOLECULES,14,3881(2009) |
| Literature Reference DOI | 10.3390/molecules14103881 |
| Molecular Weight | 1349.762 g/mol |
| Sample ID | 69835 |
| Solvent | Unknown |