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Tert-butyl propiolate

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 2 MS (GC)

Tert-butyl propiolate
SpectraBase Compound ID CHCfA6nVoK
InChI 1S/C7H10O2/c1-5-6(8)9-7(2,3)4/h1H,2-4H3
InChIKey XGTPDIIFEPTULX-UHFFFAOYSA-N
Mol Weight 126.15 g/mol
Molecular Formula C7H10O2
Exact Mass 126.06808 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID DbcBM9sVSbf
Name tert-Butyl propiolate
Source of Sample Aldrich
Catalog Number 419885
CAS Registry Number 13831-03-3
Classification Alkynes
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O2
InChI InChI=1S/C7H10O2/c1-5-6(8)9-7(2,3)4/h1H,2-4H3
InChIKey XGTPDIIFEPTULX-UHFFFAOYSA-N
Purity 98%
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms tert-Butyl acetylenecarboxylate
Technique Neat
Wiley ID SIAL_FTIR_1_8039