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Succinic acid, isohexyl 2-methoxyethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Succinic acid, isohexyl 2-methoxyethyl ester
SpectraBase Compound ID NEizk6yrkr
InChI InChI=1S/C13H24O5/c1-11(2)5-4-8-17-12(14)6-7-13(15)18-10-9-16-3/h11H,4-10H2,1-3H3
InChIKey PNJFSAZSUIFMAF-UHFFFAOYSA-N
Mol Weight 260.33 g/mol
Molecular Formula C13H24O5
Exact Mass 260.162374 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 59WXmhN5Qzr
Name Succinic acid, isohexyl 2-methoxyethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.162373868 u
Formula C13H24O5
InChI InChI=1S/C13H24O5/c1-11(2)5-4-8-17-12(14)6-7-13(15)18-10-9-16-3/h11H,4-10H2,1-3H3
InChIKey PNJFSAZSUIFMAF-UHFFFAOYSA-N
Molecular Weight 260.330 g/mol
SMILES C(OCCOC)(CCC(OCCCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.873811