![Tert-butyl-[2-methyl-5-[(2S,3R)-2-methyl-3-phenylmethoxy-4,5-dihydro-3H-oxepin-2-yl]pentoxy]-diphenyl-silane](/api/spectrum/By8na8CUiy5/structure.png?h=300&w=458 "Tert-butyl-[2-methyl-5-[(2S,3R)-2-methyl-3-phenylmethoxy-4,5-dihydro-3H-oxepin-2-yl]pentoxy]-diphenyl-silane")
| SpectraBase Compound ID | KYc2SyDXLf4 |
|---|---|
| InChI | InChI=1S/C36H48O3Si/c1-30(18-17-26-36(5)34(25-15-16-27-38-36)37-29-31-19-9-6-10-20-31)28-39-40(35(2,3)4,32-21-11-7-12-22-32)33-23-13-8-14-24-33/h6-14,16,19-24,27,30,34H,15,17-18,25-26,28-29H2,1-5H3/t30?,34-,36+/m1/s1 |
| InChIKey | HPELJXCEJJBFFF-QHLZYUIESA-N |
| Mol Weight | 556.9 g/mol |
| Molecular Formula | C36H48O3Si |
| Exact Mass | 556.337272 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | By8na8CUiy5 |
|---|---|
| Name | Tert-butyl-[2-methyl-5-[(2S,3R)-2-methyl-3-phenylmethoxy-4,5-dihydro-3H-oxepin-2-yl]pentoxy]-diphenyl-silane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 556.337271938 u |
| Formula | C36H48O3Si |
| InChI | InChI=1S/C36H48O3Si/c1-30(18-17-26-36(5)34(25-15-16-27-38-36)37-29-31-19-9-6-10-20-31)28-39-40(35(2,3)4,32-21-11-7-12-22-32)33-23-13-8-14-24-33/h6-14,16,19-24,27,30,34H,15,17-18,25-26,28-29H2,1-5H3/t30?,34-,36+/m1/s1 |
| InChIKey | HPELJXCEJJBFFF-QHLZYUIESA-N |
| Molecular Weight | 556.862 g/mol |
| SMILES | C(O[Si](C(C)(C)C)(C=1C=CC=CC1)C1=CC=CC=C1)C(CCC[C@@]1(OC=CCC[C@]1(OCC1=CC=CC=C1)[H])C)C |