| SpectraBase Spectrum ID |
4ZdzUgq1czA |
| Name |
Trans-2-methyl-1-(4-hydroxybut-2-yl)cyclopentan-3-one ketal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.156894565 u |
| Formula |
C12H22O3 |
| InChI |
InChI=1S/C12H22O3/c1-9(4-6-13)11-3-5-12(10(11)2)14-7-8-15-12/h9-11,13H,3-8H2,1-2H3/t9?,10-,11-/m0/s1 |
| InChIKey |
ODDIRDOOQVFBFK-DVRYWGNFSA-N |
| Molecular Weight |
214.305 g/mol |
| SMILES |
C12([C@]([C@](C(CCO)C)(CC2)[H])(C)[H])OCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834653 |
