| SpectraBase Spectrum ID |
GAsH7ResUkf |
| Name |
(S)-6-Methoxycatrbonylmethyl-2,2-dimethyl-1,3-dioxan-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
202.084123546 u |
| Formula |
C9H14O5 |
| InChI |
InChI=1S/C9H14O5/c1-9(2)13-5-6(10)7(14-9)4-8(11)12-3/h7H,4-5H2,1-3H3/t7-/m0/s1 |
| InChIKey |
HODKRTQTNOPYSR-ZETCQYMHSA-N |
| Molecular Weight |
202.206 g/mol |
| SMILES |
[C@@]1(OC(C)(C)OCC1=O)(CC(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903738 |
