| SpectraBase Spectrum ID |
7UyKDS0gOwT |
| Name |
7-oxo-1-Phenyl-6-oxatricyclo-[3.2.0.0(2,4)]-heptan-5-carboxylic-acid-methylester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.073558862 u |
| Formula |
C14H12O4 |
| InChI |
InChI=1S/C14H12O4/c1-17-12(16)14-10-7-9(10)13(14,11(15)18-14)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3 |
| InChIKey |
PPVITJWCYFFGBM-UHFFFAOYSA-N |
| Molecular Weight |
244.246 g/mol |
| SMILES |
C12(OC(C2(C2C1C2)C1=CC=CC=C1)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972042 |
![7-Oxo-1-phenyl-6-oxatricyclo[3.2.0.0(2,4)]heptan-5-carboxylic acidmethylester](/api/spectrum/7UyKDS0gOwT/structure.png?h=300&w=458 "7-Oxo-1-phenyl-6-oxatricyclo[3.2.0.0(2,4)]heptan-5-carboxylic acidmethylester")
