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Diethyl 2-(4-methylcyclohex-2-en-1-yl)propan-1,3-dioate

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Diethyl 2-(4-methylcyclohex-2-en-1-yl)propan-1,3-dioate
SpectraBase Compound ID FLslVIcBDRy
InChI InChI=1S/C14H22O4/c1-4-17-13(15)12(14(16)18-5-2)11-8-6-10(3)7-9-11/h6,8,10-12H,4-5,7,9H2,1-3H3
InChIKey BHANJUKELHEGDG-UHFFFAOYSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6byhEU6E1pO
Name Diethyl 2-(4-methylcyclohex-2-en-1-yl)propan-1,3-dioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.151809184 u
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-4-17-13(15)12(14(16)18-5-2)11-8-6-10(3)7-9-11/h6,8,10-12H,4-5,7,9H2,1-3H3
InChIKey BHANJUKELHEGDG-UHFFFAOYSA-N
Molecular Weight 254.326 g/mol
SMILES C(C(C(=O)OCC)C1C=CC(CC1)C)(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.989948