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1-Tert-butyl 6-methyl 2-methylenehexanedioate

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

1-Tert-butyl 6-methyl 2-methylenehexanedioate
SpectraBase Compound ID GtEk8AJYlun
InChI InChI=1S/C12H20O4/c1-9(7-6-8-10(13)15-5)11(14)16-12(2,3)4/h1,6-8H2,2-5H3
InChIKey MJEJLALJUHZJNF-UHFFFAOYSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1arW4tvt0SF
Name 1-Tert-butyl 6-methyl 2-methylenehexanedioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.136159120 u
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-9(7-6-8-10(13)15-5)11(14)16-12(2,3)4/h1,6-8H2,2-5H3
InChIKey MJEJLALJUHZJNF-UHFFFAOYSA-N
Molecular Weight 228.288 g/mol
SMILES C(=O)(OC(C)(C)C)C(=C)CCCC(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.983703