| SpectraBase Spectrum ID |
LMKfuq5ql4u |
| Name |
3,4-Dihydro-3-[(tetrahydro-2H-pyran-2-yl)oxy]-2H-1,5-benzodioxepine-7-carboxaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.115423675 u |
| Formula |
C15H18O5 |
| InChI |
InChI=1S/C15H18O5/c16-8-11-4-5-13-14(7-11)19-10-12(9-18-13)20-15-3-1-2-6-17-15/h4-5,7-8,12,15H,1-3,6,9-10H2 |
| InChIKey |
CEHHMKLYLDQTIW-UHFFFAOYSA-N |
| SMILES |
C1=C(C=C2C(OCC(CO2)OC2CCCCO2)=C1)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973018 |
![3,4-Dihydro-3-[(tetrahydro-2H-pyran-2-yl)oxy]-2H-1,5-benzodioxepine-7-carboxaldehyde](/api/spectrum/LMKfuq5ql4u/structure.png?h=300&w=458 "3,4-Dihydro-3-[(tetrahydro-2H-pyran-2-yl)oxy]-2H-1,5-benzodioxepine-7-carboxaldehyde")
