| SpectraBase Spectrum ID |
3mdeG79tR2F |
| Name |
Cyclopenta[C]pyran-1-carboxylic acid, 3,4,4A,7-tetrahydro-3-oxo-4-phenyl-, methyl ester, (4.alpha.,4A.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.089208927 u |
| Formula |
C16H14O4 |
| InChI |
InChI=1S/C16H14O4/c1-19-16(18)14-12-9-5-8-11(12)13(15(17)20-14)10-6-3-2-4-7-10/h2-4,6-8,13H,5,9H2,1H3 |
| InChIKey |
OQDNQWCEMJKVHG-UHFFFAOYSA-N |
| SMILES |
C1=2C(C(C(OC2C(OC)=O)=O)C2=CC=CC=C2)=CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954463 |
![Cyclopenta[C]pyran-1-carboxylic acid, 3,4,4A,7-tetrahydro-3-oxo-4-phenyl-, methyl ester, (4.alpha.,4A.alpha.)-](/api/spectrum/3mdeG79tR2F/structure.png?h=300&w=458 "Cyclopenta[C]pyran-1-carboxylic acid, 3,4,4A,7-tetrahydro-3-oxo-4-phenyl-, methyl ester, (4.alpha.,4A.alpha.)-")
