![(2S,3S)-1,4-ditert-butoxy-3-[(S)-cyclopentyl-(4-phenylphenyl)methoxy]butan-2-ol](/api/spectrum/FWkOnvSIicz/structure.png?h=300&w=458 "(2S,3S)-1,4-ditert-butoxy-3-[(S)-cyclopentyl-(4-phenylphenyl)methoxy]butan-2-ol")
| SpectraBase Compound ID | 2pzN2opFoA1 |
|---|---|
| InChI | InChI=1S/C30H44O4/c1-29(2,3)32-20-26(31)27(21-33-30(4,5)6)34-28(24-14-10-11-15-24)25-18-16-23(17-19-25)22-12-8-7-9-13-22/h7-9,12-13,16-19,24,26-28,31H,10-11,14-15,20-21H2,1-6H3/t26-,27-,28-/m0/s1 |
| InChIKey | FNXACFZKTDPTFO-KCHLEUMXSA-N |
| Mol Weight | 468.7 g/mol |
| Molecular Formula | C30H44O4 |
| Exact Mass | 468.32396 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FWkOnvSIicz |
|---|---|
| Name | (2S,3S)-1,4-Ditert-butoxy-3-[(S)-cyclopentyl-(4-phenylphenyl)methoxy]butan-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 468.323959893 u |
| Formula | C30H44O4 |
| InChI | InChI=1S/C30H44O4/c1-29(2,3)32-20-26(31)27(21-33-30(4,5)6)34-28(24-14-10-11-15-24)25-18-16-23(17-19-25)22-12-8-7-9-13-22/h7-9,12-13,16-19,24,26-28,31H,10-11,14-15,20-21H2,1-6H3/t26-,27-,28-/m0/s1 |
| InChIKey | FNXACFZKTDPTFO-KCHLEUMXSA-N |
| Molecular Weight | 468.678 g/mol |
| SMILES | [C@](O[C@]([C@](COC(C)(C)C)(O)[H])(COC(C)(C)C)[H])(C=1C=CC(=CC1)C1=CC=CC=C1)(C1CCCC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.826016 |