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Succinic acid, cyclohexylmethyl 2-methylbutyl ester

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Succinic acid, cyclohexylmethyl 2-methylbutyl ester
SpectraBase Compound ID 5Kc0RGy66Gi
InChI InChI=1S/C16H28O4/c1-3-13(2)11-19-15(17)9-10-16(18)20-12-14-7-5-4-6-8-14/h13-14H,3-12H2,1-2H3
InChIKey LVCKVYFNWMBSRR-UHFFFAOYSA-N
Mol Weight 284.4 g/mol
Molecular Formula C16H28O4
Exact Mass 284.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6MEgYWSHm8P
Name Succinic acid, cyclohexylmethyl 2-methylbutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.198759378 u
Formula C16H28O4
InChI InChI=1S/C16H28O4/c1-3-13(2)11-19-15(17)9-10-16(18)20-12-14-7-5-4-6-8-14/h13-14H,3-12H2,1-2H3
InChIKey LVCKVYFNWMBSRR-UHFFFAOYSA-N
SMILES C(CC(OCC1CCCCC1)=O)C(OCC(CC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881539