| SpectraBase Compound ID | FlXTvpwFAQ5 |
|---|---|
| InChI | InChI=1S/C32H54O2/c1-22(2)9-8-10-23(3)27-14-15-28-26-13-12-24-21-25(34-30-11-6-7-20-33-30)16-18-31(24,4)29(26)17-19-32(27,28)5/h12,22-23,25-30H,6-11,13-21H2,1-5H3/t23-,25?,26+,27-,28+,29+,30?,31+,32-/m1/s1 |
| InChIKey | JTBDYRSHSZVOOZ-CJTOWZGVSA-N |
| Mol Weight | 470.8 g/mol |
| Molecular Formula | C32H54O2 |
| Exact Mass | 470.412381 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9ABKoknQpP0 |
|---|---|
| Name | Cholestery-2-tetrahydropyran |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 470.412380977 u |
| Formula | C32H54O2 |
| InChI | InChI=1S/C32H54O2/c1-22(2)9-8-10-23(3)27-14-15-28-26-13-12-24-21-25(34-30-11-6-7-20-33-30)16-18-31(24,4)29(26)17-19-32(27,28)5/h12,22-23,25-30H,6-11,13-21H2,1-5H3/t23-,25?,26+,27-,28+,29+,30?,31+,32-/m1/s1 |
| InChIKey | JTBDYRSHSZVOOZ-CJTOWZGVSA-N |
| Molecular Weight | 470.782 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CCC(OC2OCCCC2)C4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908853 |