SpectraBase Spectrum ID |
Gz3a6AqBhS3 |
Name |
2,7-bis-[2-(2-Chloro-ethoxy)-ethoxy]-fluoren-9-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
424.084429203 u |
Formula |
C21H22Cl2O5 |
InChI |
InChI=1S/C21H22Cl2O5/c22-5-7-25-9-11-27-15-1-3-17-18-4-2-16(28-12-10-26-8-6-23)14-20(18)21(24)19(17)13-15/h1-4,13-14H,5-12H2 |
InChIKey |
XCZYRJCQAUMJLP-UHFFFAOYSA-N |
Molecular Weight |
425.308 g/mol |
SMILES |
C1=2C(C3=CC(OCCOCCCl)=CC=C3C2C=CC(=C1)OCCOCCCl)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845654 |