| SpectraBase Spectrum ID |
INVvGuhF0M1 |
| Name |
Ethyl 6-cyano-3,4-dihydro-2-(4'-methoxyphenyl)-2H-pyran-4-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.115758027 u |
| Formula |
C16H17NO4 |
| InChI |
InChI=1S/C16H17NO4/c1-3-20-16(18)12-8-14(10-17)21-15(9-12)11-4-6-13(19-2)7-5-11/h4-8,12,15H,3,9H2,1-2H3/t12-,15-/m1/s1 |
| InChIKey |
CYDLZUTUZWZUHP-IUODEOHRSA-N |
| SMILES |
C=1(O[C@@](C=2C=CC(=CC2)OC)(C[C@@](C1)(C(=O)OCC)[H])[H])C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849933 |
