| SpectraBase Spectrum ID |
LHpyfAzHWJU |
| Name |
(11S)-10,10-Dimethyl-7-oxocycloundecen-2,11-carbolactone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.141244501 u |
| Formula |
C14H20O3 |
| InChI |
InChI=1S/C14H20O3/c1-14(2)8-7-11(15)6-4-3-5-10-9-12(14)17-13(10)16/h9,12H,3-8H2,1-2H3/t12-/m0/s1 |
| InChIKey |
RILYFCVIIJLJJT-LBPRGKRZSA-N |
| Molecular Weight |
236.311 g/mol |
| SMILES |
C1(O[C@@]2(C(CCC(CCCCC1=C2)=O)(C)C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806907 |
