| SpectraBase Spectrum ID |
EMl4eah9YFr |
| Name |
Propanoic acid, 3-(2,3,6-trimethyl-1,4-dioxaspiro[4.4]non-7-yl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.167459249 u |
| Formula |
C14H24O4 |
| InChI |
InChI=1S/C14H24O4/c1-9-12(5-6-13(15)16-4)7-8-14(9)17-10(2)11(3)18-14/h9-12H,5-8H2,1-4H3 |
| InChIKey |
GRFWLIKOJLKQIX-UHFFFAOYSA-N |
| Molecular Weight |
256.342 g/mol |
| SMILES |
C(=O)(CCC1C(C)C2(OC(C(C)O2)C)CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964849 |
![Propanoic acid, 3-(2,3,6-trimethyl-1,4-dioxaspiro[4.4]non-7-yl)-, methyl ester](/api/spectrum/EMl4eah9YFr/structure.png?h=300&w=458 "Propanoic acid, 3-(2,3,6-trimethyl-1,4-dioxaspiro[4.4]non-7-yl)-, methyl ester")
