| SpectraBase Spectrum ID |
AjMnhvGhTYk |
| Name |
6-[(1',3'-Benzodioxol-5'-yl)methyl]-tetrahydro-2H-pyran-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.089208927 u |
| Formula |
C13H14O4 |
| InChI |
InChI=1S/C13H14O4/c14-13-3-1-2-10(17-13)6-9-4-5-11-12(7-9)16-8-15-11/h4-5,7,10H,1-3,6,8H2 |
| InChIKey |
JNXMNGFRKHJOLQ-UHFFFAOYSA-N |
| Molecular Weight |
234.251 g/mol |
| SMILES |
C1(OC(CCC1)CC=1C=C2OCOC2=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939364 |
![6-[(1',3'-Benzodioxol-5'-yl)methyl]-tetrahydro-2H-pyran-2-one](/api/spectrum/AjMnhvGhTYk/structure.png?h=300&w=458 "6-[(1',3'-Benzodioxol-5'-yl)methyl]-tetrahydro-2H-pyran-2-one")
