| SpectraBase Spectrum ID |
40wVjYhWFCf |
| Name |
4-(2-Keto-5,5-dimethyl-3-furyl)-2-methyl-cyclohexa-1,3-diene-1-carboxylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.136159120 u |
| Formula |
C16H20O4 |
| InChI |
InChI=1S/C16H20O4/c1-5-19-14(17)12-7-6-11(8-10(12)2)13-9-16(3,4)20-15(13)18/h8-9H,5-7H2,1-4H3 |
| InChIKey |
MTUIFCUOBRAGSM-UHFFFAOYSA-N |
| SMILES |
C=1(C(OC(C1)(C)C)=O)C1=CC(C)=C(CC1)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804208 |
