| SpectraBase Spectrum ID |
2uXmEFQQvz8 |
| Name |
2-Isopropyl-4-keto-3-methyl-5-methylene-cyclopent-2-ene-1-carboxylic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.156894565 u |
| Formula |
C15H22O3 |
| InChI |
InChI=1S/C15H22O3/c1-8(2)11-9(3)13(16)10(4)12(11)14(17)18-15(5,6)7/h8,12H,4H2,1-3,5-7H3 |
| InChIKey |
ZQMVIOXJSQUQDG-UHFFFAOYSA-N |
| Molecular Weight |
250.338 g/mol |
| SMILES |
C=1(C(C(=C)C(C1C)=O)C(OC(C)(C)C)=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824026 |
