| SpectraBase Spectrum ID |
F4Sc6wOHLF7 |
| Name |
Cyclolanceaefolic-acid-methylester;methylester-of-8-hydroxy-2,2'-dimethyl-6-carboxychroman-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.084123546 u |
| Formula |
C13H14O5 |
| InChI |
InChI=1S/C13H14O5/c1-13(2)6-10(15)8-4-7(12(16)17-3)5-9(14)11(8)18-13/h4-5,14H,6H2,1-3H3 |
| InChIKey |
JEMYSNUBQLQPHJ-UHFFFAOYSA-N |
| Molecular Weight |
250.250 g/mol |
| SMILES |
C1(=O)CC(C)(C)OC=2C1=CC(=CC2O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868932 |
