![N-[3-[3,5-bis[3-(tert-butoxycarbonylamino)propyl]phenyl]propyl]carbamic acid tert-butyl ester](/api/spectrum/HTCyTQqgTtC/structure.png?h=300&w=458 "N-[3-[3,5-bis[3-(tert-butoxycarbonylamino)propyl]phenyl]propyl]carbamic acid tert-butyl ester")
| SpectraBase Compound ID | 5qZhbBkmNno |
|---|---|
| InChI | InChI=1S/C30H51N3O6/c1-28(2,3)37-25(34)31-16-10-13-22-19-23(14-11-17-32-26(35)38-29(4,5)6)21-24(20-22)15-12-18-33-27(36)39-30(7,8)9/h19-21H,10-18H2,1-9H3,(H,31,34)(H,32,35)(H,33,36) |
| InChIKey | BBPCQDRLHLVIHK-UHFFFAOYSA-N |
| Mol Weight | 549.8 g/mol |
| Molecular Formula | C30H51N3O6 |
| Exact Mass | 549.377786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HTCyTQqgTtC |
|---|---|
| Name | N-[3-[3,5-bis[3-(Tert-butoxycarbonylamino)propyl]phenyl]propyl]carbamic acid tert-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 549.377786368 u |
| Formula | C30H51N3O6 |
| InChI | InChI=1S/C30H51N3O6/c1-28(2,3)37-25(34)31-16-10-13-22-19-23(14-11-17-32-26(35)38-29(4,5)6)21-24(20-22)15-12-18-33-27(36)39-30(7,8)9/h19-21H,10-18H2,1-9H3,(H,31,34)(H,32,35)(H,33,36) |
| InChIKey | BBPCQDRLHLVIHK-UHFFFAOYSA-N |
| Molecular Weight | 549.753 g/mol |
| SMILES | C(OC(C)(C)C)(=O)NCCCC=1C=C(CCCNC(OC(C)(C)C)=O)C=C(C1)CCCNC(OC(C)(C)C)=O |