SpectraBase Spectrum ID |
9Bn0MBEPs9C |
Name |
Methyl 11-nor-9-oxo-7.alpha.,8.alpha.-epoxy-driman-12-oate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
266.151809184 u |
Formula |
C15H22O4 |
InChI |
InChI=1S/C15H22O4/c1-13(2)6-5-7-14(3)9(13)8-10-15(19-10,11(14)16)12(17)18-4/h9-10H,5-8H2,1-4H3/t9?,10-,14-,15+/m0/s1 |
InChIKey |
JTMCVPBYUPXMCU-OUCXONRESA-N |
Molecular Weight |
266.337 g/mol |
SMILES |
[C@@]12(O[C@]2(CC2[C@@](C1=O)(CCCC2(C)C)C)[H])C(=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847897 |