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2-Allyl-3-(2-chloroethoxy)-4-isopropyl-1-methylbenzene
SpectraBase Compound ID CNSrNGk9AlX
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
Mol Weight 252.78 g/mol
Molecular Formula C15H21ClO
Exact Mass 252.128093 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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