| SpectraBase Spectrum ID |
6XLNAl7Fcpu |
| Name |
3-Hydroxy-2-methylene-pimelic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.099773610 u |
| Formula |
C10H16O5 |
| InChI |
InChI=1S/C10H16O5/c1-7(10(13)15-3)8(11)5-4-6-9(12)14-2/h8,11H,1,4-6H2,2-3H3 |
| InChIKey |
KSSHYAUTEXLBIV-UHFFFAOYSA-N |
| Molecular Weight |
216.233 g/mol |
| SMILES |
C(C(=O)OC)(=C)C(O)CCCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96424 |
