| SpectraBase Spectrum ID |
IiKGfqJkVQm |
| Name |
3-(3,4-Dichloro-2-methoxyphenyl)-6-methoxy-2,3-dihydroinden-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.031999708 u |
| Formula |
C17H14Cl2O3 |
| InChI |
InChI=1S/C17H14Cl2O3/c1-21-9-3-4-10-12(8-15(20)13(10)7-9)11-5-6-14(18)16(19)17(11)22-2/h3-7,12H,8H2,1-2H3 |
| InChIKey |
UWFPCDAANNDWHI-UHFFFAOYSA-N |
| Molecular Weight |
337.202 g/mol |
| SMILES |
C1(CC(C=2C=CC(=CC12)OC)C=1C(=C(C(=CC1)Cl)Cl)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862747 |
