| SpectraBase Spectrum ID |
HavLyv1jcUs |
| Name |
Estr-4-en-3-one, 17.beta.-hydroxy-, cyclic ethylene acetal, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.230059506 u |
| Formula |
C22H32O4 |
| InChI |
InChI=1S/C22H32O4/c1-14(23)26-20-6-5-19-18-4-3-15-13-22(24-11-12-25-22)10-8-16(15)17(18)7-9-21(19,20)2/h13,16-20H,3-12H2,1-2H3 |
| InChIKey |
GBGKFKWBHAYQKK-UHFFFAOYSA-N |
| Molecular Weight |
360.494 g/mol |
| SMILES |
C12(C)C(C3C(CC2)C2C(CC3)=CC3(CC2)OCCO3)CCC1OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859749 |
