![(4R,5R,14'S)-3-Benzyl-5-[3'-hydroxy-14'-(tetrahydropyran-2''-yloxy)pentadecyl]-4-methyl-2-oxazolidinone](/api/spectrum/1o412jSKt3o/structure.png?h=300&w=458 "(4R,5R,14'S)-3-Benzyl-5-[3'-hydroxy-14'-(tetrahydropyran-2''-yloxy)pentadecyl]-4-methyl-2-oxazolidinone")
| SpectraBase Compound ID | AfFwvsDW9iB |
|---|---|
| InChI | InChI=1S/C31H51NO5/c1-25(36-30-20-14-15-23-35-30)16-10-7-5-3-4-6-8-13-19-28(33)21-22-29-26(2)32(31(34)37-29)24-27-17-11-9-12-18-27/h9,11-12,17-18,25-26,28-30,33H,3-8,10,13-16,19-24H2,1-2H3/t25-,26+,28?,29+,30?/m0/s1 |
| InChIKey | YLBRTVLGOMNZSN-LFJGUSQMSA-N |
| Mol Weight | 517.8 g/mol |
| Molecular Formula | C31H51NO5 |
| Exact Mass | 517.376724 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1o412jSKt3o |
|---|---|
| Name | (4R,5R,14'S)-3-Benzyl-5-[3'-hydroxy-14'-(tetrahydropyran-2''-yloxy)pentadecyl]-4-methyl-2-oxazolidinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 517.376723741 u |
| Formula | C31H51NO5 |
| InChI | InChI=1S/C31H51NO5/c1-25(36-30-20-14-15-23-35-30)16-10-7-5-3-4-6-8-13-19-28(33)21-22-29-26(2)32(31(34)37-29)24-27-17-11-9-12-18-27/h9,11-12,17-18,25-26,28-30,33H,3-8,10,13-16,19-24H2,1-2H3/t25-,26+,28?,29+,30?/m0/s1 |
| InChIKey | YLBRTVLGOMNZSN-LFJGUSQMSA-N |
| Molecular Weight | 517.751 g/mol |
| SMILES | C1(N([C@@]([C@](O1)(CCC(O)CCCCCCCCCC[C@@](OC1OCCCC1)(C)[H])[H])(C)[H])CC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.838903 |