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2-[2-(2-Chloro-ethoxy)-ethoxy]-7-propoxy-fluoren-9-one
SpectraBase Compound ID 7SZWB8b3y7I
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
Mol Weight 360.84 g/mol
Molecular Formula C20H21ClO4
Exact Mass 360.112837 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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