| SpectraBase Spectrum ID |
IRLhCndqK7l |
| Name |
2-(1,2,3,4,cis-4A,6,7,8,cis-8A,9,10,Trans-10A-dodecahydro-trans-2,4A,8A-trimethyl-8-oxo-2-phenanthryl)acetic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.203844759 u |
| Formula |
C19H28O3 |
| InChI |
InChI=1S/C19H28O3/c1-17(12-16(21)22)9-10-18(2)13(11-17)7-8-19(3)14(18)5-4-6-15(19)20/h5,13H,4,6-12H2,1-3H3,(H,21,22) |
| InChIKey |
PQXRZNVHEWRKLJ-UHFFFAOYSA-N |
| Molecular Weight |
304.430 g/mol |
| SMILES |
C1CC=C2C(C1=O)(CCC1C2(CCC(C1)(CC(O)=O)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913391 |
