| SpectraBase Compound ID | 6fP8cBuQKhk |
|---|---|
| InChI | InChI=1S/C30H52O2/c1-21(2)8-7-9-22(3)26-12-13-27-25-11-10-23-20-24(32-19-18-31-6)14-16-29(23,4)28(25)15-17-30(26,27)5/h10,21-22,24-28H,7-9,11-20H2,1-6H3/t22-,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | PIUHQZRZWFGGJL-OCBUSCMESA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C30H52O2 |
| Exact Mass | 444.396731 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7zaCfEYBAAb |
|---|---|
| Name | Cholest-5-ene, 3-(2-methoxyethoxy)-, (3.beta.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 444.396730912 u |
| Formula | C30H52O2 |
| InChI | InChI=1S/C30H52O2/c1-21(2)8-7-9-22(3)26-12-13-27-25-11-10-23-20-24(32-19-18-31-6)14-16-29(23,4)28(25)15-17-30(26,27)5/h10,21-22,24-28H,7-9,11-20H2,1-6H3/t22-,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | PIUHQZRZWFGGJL-OCBUSCMESA-N |
| Molecular Weight | 444.744 g/mol |
| SMILES | C[C@]12[C@]([C@]3([C@](CC2)([C@]2(C)C(=CC3)C[C@](CC2)(OCCOC)[H])[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94153 |