| SpectraBase Spectrum ID |
1w0qOvsTcZn |
| Name |
Cyclopropanecarboxylic acid, 2-[4-(1,1-dimethylethyl)phenyl]-, ethyl ester- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.161979946 u |
| Formula |
C16H22O2 |
| InChI |
InChI=1S/C16H22O2/c1-5-18-15(17)14-10-13(14)11-6-8-12(9-7-11)16(2,3)4/h6-9,13-14H,5,10H2,1-4H3 |
| InChIKey |
UCDAWOWWZUSWFQ-UHFFFAOYSA-N |
| Molecular Weight |
246.350 g/mol |
| SMILES |
C1(C(C=2C=CC(C(C)(C)C)=CC2)C1)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904351 |
![Cyclopropanecarboxylic acid, 2-[4-(1,1-dimethylethyl)phenyl]-, ethyl ester-](/api/spectrum/1w0qOvsTcZn/structure.png?h=300&w=458 "Cyclopropanecarboxylic acid, 2-[4-(1,1-dimethylethyl)phenyl]-, ethyl ester-")
