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2-Ethylbutyric acid, 8-chlorooctyl ester

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2-Ethylbutyric acid, 8-chlorooctyl ester
SpectraBase Compound ID 3XEbWv4a7Kj
InChI InChI=1S/C14H27ClO2/c1-3-13(4-2)14(16)17-12-10-8-6-5-7-9-11-15/h13H,3-12H2,1-2H3
InChIKey PFHBSVMEHNCJCV-UHFFFAOYSA-N
Mol Weight 262.82 g/mol
Molecular Formula C14H27ClO2
Exact Mass 262.169958 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LMENU3zy6Km
Name 2-Ethylbutyric acid, 8-chlorooctyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.169957807 u
Formula C14H27ClO2
InChI InChI=1S/C14H27ClO2/c1-3-13(4-2)14(16)17-12-10-8-6-5-7-9-11-15/h13H,3-12H2,1-2H3
InChIKey PFHBSVMEHNCJCV-UHFFFAOYSA-N
Molecular Weight 262.821 g/mol
SMILES C(C(OCCCCCCCCCl)=O)(CC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.899833