| SpectraBase Spectrum ID |
A95cGLsH82U |
| Name |
(2S,5R,6R)-Methyl 6-formyl-5-methyltetrahydro-2H-pyran-2-acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
200.104858991 u |
| Formula |
C10H16O4 |
| InChI |
InChI=1S/C10H16O4/c1-7-3-4-8(5-10(12)13-2)14-9(7)6-11/h6-9H,3-5H2,1-2H3/t7-,8+,9+/m1/s1 |
| InChIKey |
FUJRUWRVBPEAAI-VGMNWLOBSA-N |
| Molecular Weight |
200.234 g/mol |
| SMILES |
[C@@]1(O[C@@](CC[C@]1(C)[H])(CC(=O)OC)[H])(C=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964547 |
