| SpectraBase Spectrum ID |
7E1utQvZeJk |
| Name |
Benzoic acid (3S,5R)-5-ethoxycarbonylmethyl-2-oxo-tetrahydro-furan-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.094688229 u |
| Formula |
C15H16O6 |
| InChI |
InChI=1S/C15H16O6/c1-2-19-13(16)9-11-8-12(15(18)20-11)21-14(17)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3/t11-,12+/m1/s1 |
| InChIKey |
QYLRTOUJUCALQN-NEPJUHHUSA-N |
| Molecular Weight |
292.287 g/mol |
| SMILES |
C1(O[C@@](CC(=O)OCC)(C[C@@]1(OC(=O)C1=CC=CC=C1)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958341 |
