| SpectraBase Compound ID | KKIebZgzt9U |
|---|---|
| InChI | InChI=1S/C33H56ClNOSi/c1-26(2)27-17-19-29-28(25-27)18-20-30-32(29,3)21-16-22-33(30,4)31(36)35-23-14-12-10-8-7-9-11-13-15-24-37(5,6)34/h17,19,25-26,30H,7-16,18,20-24H2,1-6H3,(H,35,36)/t30-,32-,33+/m1/s1 |
| InChIKey | BMVBYLYPRXSIIU-QYAQUCTESA-N |
| Mol Weight | 546.4 g/mol |
| Molecular Formula | C33H56ClNOSi |
| Exact Mass | 545.38197 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AAalYv1uP3J |
|---|---|
| Name | N-(11'-(Chlorodimethylsilyl)undecyl)dehydroabietamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 545.381969661 u |
| Formula | C33H56ClNOSi |
| InChI | InChI=1S/C33H56ClNOSi/c1-26(2)27-17-19-29-28(25-27)18-20-30-32(29,3)21-16-22-33(30,4)31(36)35-23-14-12-10-8-7-9-11-13-15-24-37(5,6)34/h17,19,25-26,30H,7-16,18,20-24H2,1-6H3,(H,35,36)/t30-,32-,33+/m1/s1 |
| InChIKey | BMVBYLYPRXSIIU-QYAQUCTESA-N |
| Molecular Weight | 546.355 g/mol |
| SMILES | [C@@]12([C@]([C@](C(=O)NCCCCCCCCCCC[Si](Cl)(C)C)(C)CCC2)(CCC2=C1C=CC(C(C)C)=C2)[H])C |