| SpectraBase Spectrum ID |
D84L4EYVfQs |
| Name |
3,4-Dihydro-7-methyl-3-[(tetrahydro-2H-pyran-2-yl)oxy]-2H-1,5-benzodioxepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.136159120 u |
| Formula |
C15H20O4 |
| InChI |
InChI=1S/C15H20O4/c1-11-5-6-13-14(8-11)18-10-12(9-17-13)19-15-4-2-3-7-16-15/h5-6,8,12,15H,2-4,7,9-10H2,1H3 |
| InChIKey |
AJAQWJAWZFHKTK-UHFFFAOYSA-N |
| Molecular Weight |
264.321 g/mol |
| SMILES |
C=1C=C2C(=CC1C)OCC(CO2)OC1CCCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974409 |
![3,4-Dihydro-7-methyl-3-[(tetrahydro-2H-pyran-2-yl)oxy]-2H-1,5-benzodioxepine](/api/spectrum/D84L4EYVfQs/structure.png?h=300&w=458 "3,4-Dihydro-7-methyl-3-[(tetrahydro-2H-pyran-2-yl)oxy]-2H-1,5-benzodioxepine")
