| SpectraBase Compound ID | 1iQWMjtGGhm |
|---|---|
| InChI | InChI=1S/C19H30O/c1-12-3-5-16-15(12)7-8-18-17(16)6-4-13-11-14(20)9-10-19(13,18)2/h7,12-14,16-18,20H,3-6,8-11H2,1-2H3/t12-,13-,14-,16+,17-,18-,19-/m0/s1 |
| InChIKey | MFWRHGNYEAYNLT-DTQPDNRZSA-N |
| Mol Weight | 274.45 g/mol |
| Molecular Formula | C19H30O |
| Exact Mass | 274.229666 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 50G4LFggju0 |
|---|---|
| Name | 17.beta.-Methyl-18-nor-5.alpha.-androst-12-en-3.beta.-yl alcohol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.229665585 u |
| Formula | C19H30O |
| InChI | InChI=1S/C19H30O/c1-12-3-5-16-15(12)7-8-18-17(16)6-4-13-11-14(20)9-10-19(13,18)2/h7,12-14,16-18,20H,3-6,8-11H2,1-2H3/t12-,13-,14-,16+,17-,18-,19-/m0/s1 |
| InChIKey | MFWRHGNYEAYNLT-DTQPDNRZSA-N |
| SMILES | [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@](C4=CC3)(C)[H])[H])([H])CC[C@]2(C[C@](CC1)(O)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896237 |