| SpectraBase Spectrum ID |
JchB3NVHylj |
| Name |
1,4-Dioxan-2-one, 3,3-dichloro-5-(1-methylpropoxy)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.011264262 u |
| Formula |
C8H12Cl2O4 |
| InChI |
InChI=1S/C8H12Cl2O4/c1-3-5(2)13-6-4-12-7(11)8(9,10)14-6/h5-6H,3-4H2,1-2H3 |
| InChIKey |
GSNRRSMCVMCLQA-UHFFFAOYSA-N |
| Molecular Weight |
243.086 g/mol |
| SMILES |
C1(OC(OC(CC)C)COC1=O)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97743 |
