| SpectraBase Spectrum ID |
5rwkeprzAjG |
| Name |
(ent)-Prelacinan-7-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.182715392 u |
| Formula |
C15H24O |
| InChI |
InChI=1S/C15H24O/c1-10-5-6-11-13(2,3)12(16)14(4)7-8-15(10,11)9-14/h10-11H,5-9H2,1-4H3/t10-,11?,14-,15+/m1/s1 |
| InChIKey |
FKIMAXRXZJXZBA-OWUCANGISA-N |
| Molecular Weight |
220.356 g/mol |
| SMILES |
[C@@]123C(C(C)(C)C([C@](C3)(C)CC1)=O)CC[C@]2(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960347 |
