| SpectraBase Spectrum ID |
8gAGC1WItwC |
| Name |
Glutaric acid, cyclohexylmethyl 2-methylpent-3-yl 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/c1-4-16(14(2)3)22-18(20)12-8-11-17(19)21-13-15-9-6-5-7-10-15/h14-16H,4-13H2,1-3H3 |
| InChIKey |
CIOMHFQCOAULQB-UHFFFAOYSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
C(CCC(OCC1CCCCC1)=O)C(OC(C(C)C)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819926 |
