| SpectraBase Spectrum ID |
4trroK2m9dQ |
| Name |
Perhydrophenanthren-2-one, 7-acetoxy-1-methoxycarbonylmethyl-4B-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.209324061 u |
| Formula |
C20H30O5 |
| InChI |
InChI=1S/C20H30O5/c1-12(21)25-14-8-9-20(2)13(10-14)4-5-15-16(11-19(23)24-3)18(22)7-6-17(15)20/h13-17H,4-11H2,1-3H3 |
| InChIKey |
QQEAFFXMHIVZIJ-UHFFFAOYSA-N |
| Molecular Weight |
350.455 g/mol |
| SMILES |
C12CC(OC(C)=O)CCC2(C)C2C(CC1)C(CC(OC)=O)C(=O)CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926596 |
