| SpectraBase Spectrum ID |
De6qJ5CxdwC |
| Name |
Methyl-2-oxo-7-phenylchroman-6-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.089208927 u |
| Formula |
C17H14O4 |
| InChI |
InChI=1S/C17H14O4/c1-20-17(19)14-9-12-7-8-16(18)21-15(12)10-13(14)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3 |
| InChIKey |
LSILOOHPPNXZCA-UHFFFAOYSA-N |
| SMILES |
C=12OC(CCC1C=C(C(=C2)C1=CC=CC=C1)C(=O)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.814549 |
