| SpectraBase Spectrum ID |
LgU6dYtrpzB |
| Name |
(+)-7.alpha.,11.alpha.-trans-humulene-1,8-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.177630011 u |
| Formula |
C15H24O2 |
| InChI |
InChI=1S/C15H24O2/c1-11-6-5-9-15(3,4)10-14(17)12(2)7-8-13(11)16/h5,9,11-12H,6-8,10H2,1-4H3/b9-5+/t11-,12+/m1/s1 |
| InChIKey |
MSVVNYKZJZHIJV-UEUGTDCTSA-N |
| Molecular Weight |
236.355 g/mol |
| SMILES |
C1(CC(\C=C\C[C@](C(CC[C@@]1(C)[H])=O)(C)[H])(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973809 |
