| SpectraBase Spectrum ID |
JvVnwz2MRDd |
| Name |
3-Chloro-5,6-dihydro-2H-pyrano[3,2-D]-1-benzoxepin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.024021847 u |
| Formula |
C13H9ClO3 |
| InChI |
InChI=1S/C13H9ClO3/c14-10-7-8-5-6-16-11-4-2-1-3-9(11)12(8)17-13(10)15/h1-4,7H,5-6H2 |
| InChIKey |
HPEGHWIVRICBCM-UHFFFAOYSA-N |
| Molecular Weight |
248.665 g/mol |
| SMILES |
C1=CC=C2C(=C1)C1=C(C=C(Cl)C(O1)=O)CCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93355 |
![3-Chloro-5,6-dihydro-2H-pyrano[3,2-D]-1-benzoxepin-2-one](/api/spectrum/JvVnwz2MRDd/structure.png?h=300&w=458 "3-Chloro-5,6-dihydro-2H-pyrano[3,2-D]-1-benzoxepin-2-one")
