| SpectraBase Spectrum ID |
4htBIuYp5XV |
| Name |
Oxalic acid, isohexyl 1-menthyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.230059506 u |
| Formula |
C18H32O4 |
| InChI |
InChI=1S/C18H32O4/c1-12(2)7-6-10-21-17(19)18(20)22-16-11-14(5)8-9-15(16)13(3)4/h12-16H,6-11H2,1-5H3 |
| InChIKey |
XNNCAGSGBQKFGH-UHFFFAOYSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
C(C(OC1C(C(C)C)CCC(C)C1)=O)(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946094 |
