SpectraBase Spectrum ID |
EmSITSRd74D |
Name |
Benzene, [2-(2-chloroethoxy)ethoxy]ethyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
228.091707485 u |
Formula |
C12H17ClO2 |
InChI |
InChI=1S/C12H17ClO2/c1-2-11-5-3-4-6-12(11)15-10-9-14-8-7-13/h3-6H,2,7-10H2,1H3 |
InChIKey |
GHYFHUFDSQPBBK-UHFFFAOYSA-N |
Molecular Weight |
228.719 g/mol |
SMILES |
C=1(C(CC)=CC=CC1)OCCOCCCl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949584 |