SpectraBase Spectrum ID |
1KFMRMjSeM |
Name |
4-Tert-butyl-2-chloranyl-1-(3-chloranyl-2-methyl-propoxy)benzene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
274.089120663 u |
Formula |
C14H20Cl2O |
InChI |
InChI=1S/C14H20Cl2O/c1-10(8-15)9-17-13-6-5-11(7-12(13)16)14(2,3)4/h5-7,10H,8-9H2,1-4H3 |
InChIKey |
RNPSFHXWYYVTOL-UHFFFAOYSA-N |
SMILES |
C=1(C=C(Cl)C(=CC1)OCC(CCl)C)C(C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95996 |