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3-(Isobutyryloxy)-1-isopropyl-2,2-dimethylpropyl 2-methylpropanoate

View entire compound with spectra: 3 NMR, 8 FTIR, 1 Raman, and 15 MS (GC)

3-(Isobutyryloxy)-1-isopropyl-2,2-dimethylpropyl 2-methylpropanoate
SpectraBase Compound ID 4FmFXFT0nb6
InChI InChI=1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3
InChIKey OMVSWZDEEGIJJI-UHFFFAOYSA-N
Mol Weight 286.41 g/mol
Molecular Formula C16H30O4
Exact Mass 286.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ip8OPG44OmD
Name 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 368652
CAS Registry Number 6846-50-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H30O4
InChI InChI=1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3
InChIKey OMVSWZDEEGIJJI-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1-Isopropyl-2,2-dimethyltrimethylene diisobutyrate
Wiley ID SIAL_13CNMR_007861