SpectraBase Spectrum ID |
D4U98nc28iJ |
Name |
2-[2-(2-Chloro-ethoxy)-ethoxy]-7-propoxy-fluoren-9-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
360.112836852 u |
Formula |
C20H21ClO4 |
InChI |
InChI=1S/C20H21ClO4/c1-2-8-24-14-3-5-16-17-6-4-15(25-11-10-23-9-7-21)13-19(17)20(22)18(16)12-14/h3-6,12-13H,2,7-11H2,1H3 |
InChIKey |
PFQUNKNCLHCNIP-UHFFFAOYSA-N |
Molecular Weight |
360.837 g/mol |
SMILES |
C1=2C(C3=CC(OCCOCCCl)=CC=C3C2C=CC(=C1)OCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924134 |