| SpectraBase Spectrum ID |
GMHCDxQBeI0 |
| Name |
2H-Pyran-2-ethanol,tetrahydro-6(1-hydroxypropyl)-.beta,5-dimethyl-,[2R-(2.alphal.(S*),5.beta.,6.beta(R*)))- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.172544630 u |
| Formula |
C12H24O3 |
| InChI |
InChI=1S/C12H24O3/c1-4-11(14)12-8(2)5-6-10(15-12)7-9(3)13/h8-14H,4-7H2,1-3H3/t8-,9+,10-,11?,12+/m1/s1 |
| InChIKey |
DCOSRYFQGRWLFI-NVFWCSOASA-N |
| Molecular Weight |
216.321 g/mol |
| SMILES |
[C@]1(O[C@](CC[C@]1(C)[H])(C[C@@](O)(C)[H])[H])(C(O)CC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926515 |
