| SpectraBase Compound ID | Jdi1UDIYkkF |
|---|---|
| InChI | InChI=1S/C22H30O3/c1-13-24-12-15-11-20-19-6-4-14-10-16(23-3)5-7-17(14)18(19)8-9-22(20,2)21(15)25-13/h5,7,10,13,15,18-21H,4,6,8-9,11-12H2,1-3H3/t13-,15-,18?,19?,20?,21-,22+/m0/s1 |
| InChIKey | IDXSCPVEPDXESL-LYBANIJRSA-N |
| Mol Weight | 342.48 g/mol |
| Molecular Formula | C22H30O3 |
| Exact Mass | 342.219495 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CueOBabbhNV |
|---|---|
| Name | 16.alpha.-(Hydroxymethyl)-3-methoxy-13.alpha.-estra-1,3,5(10)-trien-17.beta.-ol - acetaldehyde-acetal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.219494823 u |
| Formula | C22H30O3 |
| InChI | InChI=1S/C22H30O3/c1-13-24-12-15-11-20-19-6-4-14-10-16(23-3)5-7-17(14)18(19)8-9-22(20,2)21(15)25-13/h5,7,10,13,15,18-21H,4,6,8-9,11-12H2,1-3H3/t13-,15-,18?,19?,20?,21-,22+/m0/s1 |
| InChIKey | IDXSCPVEPDXESL-LYBANIJRSA-N |
| Molecular Weight | 342.479 g/mol |
| SMILES | [C@]12(C(C3CCC4=C(C3CC2)C=CC(OC)=C4)C[C@@]2([C@@]1(O[C@](OC2)(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898133 |