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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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID H0Btpg9gKSQ
Name Di-tert-butyl acetylenedicarboxylate
Source of Sample Fluka Chemie AG, Buchs, Switzerland
Catalog Number 01105
Boiling Point 80-82C/0.05mm
CAS Registry Number 66086-33-7
Copyright Copyright © 1980, 1981-2024 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
Synonyms Acetylenedicarboxylic acid, di-tert-butyl ester Di-tert-butyl 2-butynedioate
Technique CAPILLARY CELL: MELT (CRYSTALLINE PHASE)