| SpectraBase Spectrum ID |
9jFE03YrDro |
| Name |
19-Norpregna-1,3,5(10),17(20)-tetraene-20-carboxaldehyde, 3-methoxy-, (17Z)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.208930140 u |
| Formula |
C22H28O2 |
| InChI |
InChI=1S/C22H28O2/c1-14(13-23)20-8-9-21-19-6-4-15-12-16(24-3)5-7-17(15)18(19)10-11-22(20,21)2/h5,7,12-13,18-19,21H,4,6,8-11H2,1-3H3/b20-14-/t18-,19-,21+,22-/m1/s1 |
| InChIKey |
VHTQQPLEKQCEBB-ZOSRORKFSA-N |
| Molecular Weight |
324.464 g/mol |
| SMILES |
[C@@]12(\C(CC[C@]2([C@@]2(CCC3=C([C@]2(CC1)[H])C=CC(OC)=C3)[H])[H])=C/(C=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90098 |
