| SpectraBase Spectrum ID |
CsYzb2Hg8Tw |
| Name |
Diastereomer_1;1-{2-(2-azidoethoxy)-ethoxy]-ethyl}-2-N-(N,N-dibenzylformamidine)-9-{2',3'-o-benzylidene-5'-o-[N-benzyl-(p,p',p'-tribenzylimidodiph |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1254.449341654 u |
| Formula |
C66H68N10O12P2 |
| InChI |
InChI=1S/C66H68N10O12P2/c67-72-70-36-38-80-40-41-81-39-37-74-63(77)59-62(71-66(74)69-49-73(42-51-22-8-1-9-23-51)43-52-24-10-2-11-25-52)75(50-68-59)64-61-60(87-65(88-61)57-34-20-7-21-35-57)58(86-64)48-85-90(79,84-47-56-32-18-6-19-33-56)76(44-53-26-12-3-13-27-53)89(78,82-45-54-28-14-4-15-29-54)83-46-55-30-16-5-17-31-55/h1-35,49-50,58,60-61,64-65H,36-48H2/b69-49+/t58-,60-,61-,64-,65?,90?/m0/s1 |
| InChIKey |
QWBOQYHRMNDMLR-ZUKGUWOYSA-N |
| Molecular Weight |
1255.276 g/mol |
| SMILES |
C1(=NC=2N(C=NC2C(N1CCOCCOCCN=N#N)=O)[C@@]1([C@]2(OC(O[C@]2([C@@](O1)(COP(=O)(OCC1=CC=CC=C1)N(CC1=CC=CC=C1)P(=O)(OCC1=CC=CC=C1)OCC1=CC=CC=C1)[H])[H])C1=CC=CC=C1)[H])[H])\N=C\N(CC1=CC=CC=C1)CC1=CC=CC=C1 |
![Diastereomer_1;1-{2-(2-azidoethoxy)-ethoxy]-ethyl}-2-N-(N,N-dibenzylformamidine)-9-{2',3'-o-benzylidene-5'-o-[N-benzyl-(p,p',p'-tribenzylimidodiph](/api/spectrum/CsYzb2Hg8Tw/structure.png?h=300&w=458 "Diastereomer_1;1-{2-(2-azidoethoxy)-ethoxy]-ethyl}-2-N-(N,N-dibenzylformamidine)-9-{2',3'-o-benzylidene-5'-o-[N-benzyl-(p,p',p'-tribenzylimidodiph")
