| SpectraBase Spectrum ID |
ButxYbCSlgI |
| Name |
Cyclopentanepropanoic acid, 2,2-dimethyl-1-(1-methylethyl)-, 1-methylethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.224580204 u |
| Formula |
C16H30O2 |
| InChI |
InChI=1S/C16H30O2/c1-12(2)16(10-7-9-15(16,5)6)11-8-14(17)18-13(3)4/h12-13H,7-11H2,1-6H3 |
| InChIKey |
NXPMDYYOLZPYHS-UHFFFAOYSA-N |
| Molecular Weight |
254.414 g/mol |
| SMILES |
C1(C(CCC1)(C)C)(CCC(=O)OC(C)C)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892314 |
