| SpectraBase Spectrum ID |
DJIcfJo5PQZ |
| Name |
Pyran-4-carbonitrile, 4-(4-methoxyphenyl)-tetrahydro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
217.110278725 u |
| Formula |
C13H15NO2 |
| InChI |
InChI=1S/C13H15NO2/c1-15-12-4-2-11(3-5-12)13(10-14)6-8-16-9-7-13/h2-5H,6-9H2,1H3 |
| InChIKey |
AEDAKKUAAMXNOA-UHFFFAOYSA-N |
| Molecular Weight |
217.268 g/mol |
| SMILES |
C1OCCC(C1)(C1=CC=C(C=C1)OC)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806785 |
