| SpectraBase Compound ID | FzbR1cNzlmu |
|---|---|
| InChI | InChI=1S/C62H109N3O34/c1-66-22-29-36-43(73-8)51(81-16)58(88-29)96-38-31(24-68-3)90-60(53(83-18)45(38)75-10)98-40-33(26-70-5)92-62(55(85-20)47(40)77-12)99-41-34(27-71-6)91-61(54(84-19)48(41)78-13)97-39-32(25-69-4)89-59(52(82-17)46(39)76-11)95-37-30(23-67-2)87-57(50(80-15)44(37)74-9)93-35-28(21-64-65-63)86-56(94-36)49(79-14)42(35)72-7/h28-62H,21-27H2,1-20H3/t28-,29-,30-,31-,32-,33-,34-,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56+,57+,58+,59+,60+,61+,62+/m0/s1 |
| InChIKey | FHPSEPBVFKHFNY-JHRVNIGJSA-N |
| Mol Weight | 1440.5 g/mol |
| Molecular Formula | C62H109N3O34 |
| Exact Mass | 1439.689248 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KGurHlKiOzo |
|---|---|
| Name | PERMETYLATED-6-AZIDO-6-DEOXY-BETA-CYCLODEXTRIN |
| Compound Number | 10B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H109N3O34 |
| InChI | InChI=1S/C62H109N3O34/c1-66-22-29-36-43(73-8)51(81-16)58(88-29)96-38-31(24-68-3)90-60(53(83-18)45(38)75-10)98-40-33(26-70-5)92-62(55(85-20)47(40)77-12)99-41-34(27-71-6)91-61(54(84-19)48(41)78-13)97-39-32(25-69-4)89-59(52(82-17)46(39)76-11)95-37-30(23-67-2)87-57(50(80-15)44(37)74-9)93-35-28(21-64-65-63)86-56(94-36)49(79-14)42(35)72-7/h28-62H,21-27H2,1-20H3/t28-,29-,30-,31-,32-,33-,34-,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56+,57+,58+,59+,60+,61+,62+/m0/s1 |
| InChIKey | FHPSEPBVFKHFNY-JHRVNIGJSA-N |
| Literature Reference Author | A.G.MOLINA,V.KUNGURTSEV,P.VIRTA,H.LOENNBERG |
| Literature Reference Citation | MOLECULES,17,12102(2012) |
| Literature Reference DOI | 10.3390/molecules171012102 |
| Molecular Weight | 1440.547 g/mol |
| Sample ID | 1543 |
| Solvent | DMSO-D6 |