| SpectraBase Spectrum ID |
9168EAY9hql |
| Name |
Isocaryolan-9-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/c1-14(2)9-12-11(14)5-4-10-8-15(12,3)7-6-13(10)16/h10-12H,4-9H2,1-3H3/t10-,11-,12+,15-/m1/s1 |
| InChIKey |
YMEIZAGUTPNLQD-MCYUEQNJSA-N |
| Molecular Weight |
220.356 g/mol |
| SMILES |
[C@]12([C@@]3([C@](CC[C@@](C2)([H])C(CC1)=O)([H])C(C3)(C)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902219 |
