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1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl nonyl ester

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1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl nonyl ester
SpectraBase Compound ID 5EF5Y8PQQtZ
InChI InChI=1S/C19H33ClO4/c1-2-3-4-5-6-7-10-14-23-18(21)16-11-8-9-12-17(16)19(22)24-15-13-20/h16-17H,2-15H2,1H3
InChIKey KLGRZMKDNHJDHJ-UHFFFAOYSA-N
Mol Weight 360.9 g/mol
Molecular Formula C19H33ClO4
Exact Mass 360.206737 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4AMomu8FUXR
Name 1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl nonyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.206737239 u
Formula C19H33ClO4
InChI InChI=1S/C19H33ClO4/c1-2-3-4-5-6-7-10-14-23-18(21)16-11-8-9-12-17(16)19(22)24-15-13-20/h16-17H,2-15H2,1H3
InChIKey KLGRZMKDNHJDHJ-UHFFFAOYSA-N
Molecular Weight 360.922 g/mol
SMILES C1CC(C(CC1)C(=O)OCCCl)C(OCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900736