| SpectraBase Spectrum ID |
7jkt4zBt3Dl |
| Name |
8-Hydroxy-3,7-dimethyl-1,5-dioxa-spiro[5.5]undecane-3-carboxylic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.146723803 u |
| Formula |
C13H22O5 |
| InChI |
InChI=1S/C13H22O5/c1-9-10(14)5-4-6-13(9)17-7-12(2,8-18-13)11(15)16-3/h9-10,14H,4-8H2,1-3H3 |
| InChIKey |
LQPIBGIPSBMIAZ-UHFFFAOYSA-N |
| Molecular Weight |
258.314 g/mol |
| SMILES |
C1(O)CCCC2(C1C)OCC(C)(CO2)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841137 |
![8-Hydroxy-3,7-dimethyl-1,5-dioxa-spiro[5.5]undecane-3-carboxylic acid, methyl ester](/api/spectrum/7jkt4zBt3Dl/structure.png?h=300&w=458 "8-Hydroxy-3,7-dimethyl-1,5-dioxa-spiro[5.5]undecane-3-carboxylic acid, methyl ester")
