| SpectraBase Spectrum ID |
nf1bS6vpTr |
| Name |
D-(-)-quinic acid, tetramethyl ether, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.141638422 u |
| Formula |
C12H22O6 |
| InChI |
InChI=1S/C12H22O6/c1-14-8-6-12(18-5,11(13)17-4)7-9(15-2)10(8)16-3/h8-10H,6-7H2,1-5H3 |
| InChIKey |
LOCXZLDUCPQHSP-UHFFFAOYSA-N |
| Molecular Weight |
262.302 g/mol |
| SMILES |
C1C(C(C(CC1(OC)C(=O)OC)OC)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883588 |
