| SpectraBase Spectrum ID |
6BKeG3ArK2a |
| Name |
Tremulenolide_A |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.161979946 u |
| Formula |
C15H22O2 |
| InChI |
InChI=1S/C15H22O2/c1-9-4-5-10-8-17-14(16)13(10)12-7-15(2,3)6-11(9)12/h9-11H,4-8H2,1-3H3/t9-,10+,11-/m0/s1 |
| InChIKey |
BQADRYZOMNHMRC-AXFHLTTASA-N |
| Molecular Weight |
234.339 g/mol |
| SMILES |
C1(=O)C2=C3CC(C[C@]3([C@](CC[C@@]2(CO1)[H])(C)[H])[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91101 |
