| SpectraBase Compound ID | 3KyrCBVHKWR |
|---|---|
| InChI | InChI=1S/C21H36O2Si/c1-6-8-9-13-17-20(21(14-7-2)23-24(3,4)5)22-18-19-15-11-10-12-16-19/h7,10-12,15-16,20-21H,2,6,8-9,13-14,17-18H2,1,3-5H3/t20-,21-/m0/s1 |
| InChIKey | AURMKMGIYFKZKP-SFTDATJTSA-N |
| Mol Weight | 348.6 g/mol |
| Molecular Formula | C21H36O2Si |
| Exact Mass | 348.248457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GRGb0GTMPCs |
|---|---|
| Name | (4S,5S)-5-(Benzyloxy)undec-1-en-4-ol - trimethylsilyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.248456932 u |
| Formula | C21H36O2Si |
| InChI | InChI=1S/C21H36O2Si/c1-6-8-9-13-17-20(21(14-7-2)23-24(3,4)5)22-18-19-15-11-10-12-16-19/h7,10-12,15-16,20-21H,2,6,8-9,13-14,17-18H2,1,3-5H3/t20-,21-/m0/s1 |
| InChIKey | AURMKMGIYFKZKP-SFTDATJTSA-N |
| Molecular Weight | 348.602 g/mol |
| SMILES | C=CC[C@@]([C@](CCCCCC)(OCC1=CC=CC=C1)[H])(O[Si](C)(C)C)[H] |