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3-Chloro-3-methyl-1-butyne

View entire compound with spectra: 2 NMR, 5 FTIR, 1 Raman, and 5 MS (GC)

3-Chloro-3-methyl-1-butyne
SpectraBase Compound ID E6WHIjqlRIl
InChI InChI=1S/C5H7Cl/c1-4-5(2,3)6/h1H,2-3H3
InChIKey QSILYWCNPOLKPN-UHFFFAOYSA-N
Mol Weight 102.56 g/mol
Molecular Formula C5H7Cl
Exact Mass 102.023628 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EK5oDvcHK1n
Name 3-Chloro-3-methyl-1-butyne
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 301345
CAS Registry Number 1111-97-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H7Cl
InChI InChI=1S/C5H7Cl/c1-4-5(2,3)6/h1H,2-3H3
InChIKey QSILYWCNPOLKPN-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_005883