| SpectraBase Spectrum ID |
3I3UKPJH6EH |
| Name |
(4S)-Methyl 4-(4-ethyl-3,3-dimethycyclolopenten-2-yl)butanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.177630011 u |
| Formula |
C14H24O2 |
| InChI |
InChI=1S/C14H24O2/c1-5-11-9-10-12(14(11,2)3)7-6-8-13(15)16-4/h10-11H,5-9H2,1-4H3/t11-/m0/s1 |
| InChIKey |
CFWNFJIVNWEFKC-NSHDSACASA-N |
| Molecular Weight |
224.344 g/mol |
| SMILES |
C1(C(=CC[C@@]1(CC)[H])CCCC(=O)OC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98099 |
