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1,1-Dimethylethyl 3-hydroxy-4-methyl-2-methylenehexanoate

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

1,1-Dimethylethyl 3-hydroxy-4-methyl-2-methylenehexanoate
SpectraBase Compound ID FKDxDAmqEVH
InChI InChI=1S/C12H22O3/c1-7-8(2)10(13)9(3)11(14)15-12(4,5)6/h8,10,13H,3,7H2,1-2,4-6H3
InChIKey HKDXAJRQUPGTNK-UHFFFAOYSA-N
Mol Weight 214.3 g/mol
Molecular Formula C12H22O3
Exact Mass 214.156895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AqSS3tMvHOF
Name 1,1-Dimethylethyl 3-hydroxy-4-methyl-2-methylenehexanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 214.156894565 u
Formula C12H22O3
InChI InChI=1S/C12H22O3/c1-7-8(2)10(13)9(3)11(14)15-12(4,5)6/h8,10,13H,3,7H2,1-2,4-6H3
InChIKey HKDXAJRQUPGTNK-UHFFFAOYSA-N
Molecular Weight 214.305 g/mol
SMILES C(C(OC(C)(C)C)=O)(C(C(CC)C)O)=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859702