SpectraBase Spectrum ID |
8VFnNLySmVx |
Name |
[(4R,5R)-5-(Cyclohexylcarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl](cyclohexyl)methanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
322.214409442 u |
Formula |
C19H30O4 |
InChI |
InChI=1S/C19H30O4/c1-19(2)22-17(15(20)13-9-5-3-6-10-13)18(23-19)16(21)14-11-7-4-8-12-14/h13-14,17-18H,3-12H2,1-2H3/t17-,18-/m0/s1 |
InChIKey |
QRFKPVBHRKMOQU-ROUUACIJSA-N |
Molecular Weight |
322.445 g/mol |
SMILES |
C(=O)(C1CCCCC1)[C@@]1(OC(O[C@]1(C(=O)C1CCCCC1)[H])(C)C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868017 |