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Di-tert-butyl acetylenedicarboxylate

View entire compound with spectra: 4 NMR, and 2 FTIR

Di-tert-butyl acetylenedicarboxylate
SpectraBase Compound ID HiBuXynqth
InChI InChI=1S/C12H18O4/c1-11(2,3)15-9(13)7-8-10(14)16-12(4,5)6/h1-6H3
InChIKey FBCRUXRGQFLOMC-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B9AxuYXQJ0Q
Name Di-tert-butyl acetylenedicarboxylate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 270822
CAS Registry Number 66086-33-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-11(2,3)15-9(13)7-8-10(14)16-12(4,5)6/h1-6H3
InChIKey FBCRUXRGQFLOMC-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-Butynedioic acid di-tert-butyl ester; Di-tert-butyl 2-butynedioate
Wiley ID SIAL_13CNMR_004912