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Glutaric acid, 2-chloro-4-methoxyphenyl 3-methylbut-2-en-1-yl ester
SpectraBase Compound ID 9Mhzq70seon
InChI InChI=1S/C17H21ClO5/c1-12(2)9-10-22-16(19)5-4-6-17(20)23-15-8-7-13(21-3)11-14(15)18/h7-9,11H,4-6,10H2,1-3H3
InChIKey IBTQNUAJRJODCX-UHFFFAOYSA-N
Mol Weight 340.8 g/mol
Molecular Formula C17H21ClO5
Exact Mass 340.107751 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9BO6cKBNvMS
Name Glutaric acid, 2-chloro-4-methoxyphenyl 3-methylbut-2-en-1-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.107751471 u
Formula C17H21ClO5
InChI InChI=1S/C17H21ClO5/c1-12(2)9-10-22-16(19)5-4-6-17(20)23-15-8-7-13(21-3)11-14(15)18/h7-9,11H,4-6,10H2,1-3H3
InChIKey IBTQNUAJRJODCX-UHFFFAOYSA-N
Molecular Weight 340.803 g/mol
SMILES C(CCCC(OCC=C(C)C)=O)(OC1=CC=C(OC)C=C1Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.818972