SpectraBase Spectrum ID |
FwnkI4oJoPS |
Name |
2-Allyl-3-(2-chloroethoxy)-4-isopropyl-1-methylbenzene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
252.128092995 u |
Formula |
C15H21ClO |
InChI |
InChI=1S/C15H21ClO/c1-5-6-14-12(4)7-8-13(11(2)3)15(14)17-10-9-16/h5,7-8,11H,1,6,9-10H2,2-4H3 |
InChIKey |
WADKOCWSVODCBT-UHFFFAOYSA-N |
Molecular Weight |
252.785 g/mol |
SMILES |
C=1(C=CC(=C(CC=C)C1OCCCl)C)C(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976244 |