| SpectraBase Spectrum ID |
DuBof21f3jN |
| Name |
1,4,7-Tris(3,5-di-tert-butyl-2-deuteriohydroxybenzyl)-1,4,7-triazacyclononane |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C51H72D9N3O3 |
| InChI |
InChI=1S/C51H81N3O3/c1-46(2,3)37-25-34(43(55)40(28-37)49(10,11)12)31-52-19-21-53(32-35-26-38(47(4,5)6)29-41(44(35)56)50(13,14)15)23-24-54(22-20-52)33-36-27-39(48(7,8)9)30-42(45(36)57)51(16,17)18/h25-30,55-57H,19-24,31-33H2,1-18H3/i31D2,32D2,33D2/hD3 |
| InChIKey |
HPVOUTCWTDHNFD-ZYONXUSRSA-N |
| Molecular Weight |
793.282 g/mol |
| SMILES |
c1(C(N2CCN(C(c3c(c(C(C)(C)C)cc(c3)C(C)(C)C)O[D])([D])[D])CCN(C(c3c(c(C(C)(C)C)cc(c3)C(C)(C)C)O[D])([D])[D])CC2)([D])[D])c(c(C(C)(C)C)cc(c1)C(C)(C)C)O[D] |
| SPLASH |
splash10-0006-0000000900-d0d1a2d9098582dd7b21 |
| Source of Spectrum |
QE-3-317-0 |
| Wiley ID |
843007 |
