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7-Bromo-5-heptynoic acid methyl ester

View entire compound with spectra: 4 NMR, and 1 MS (GC)

7-Bromo-5-heptynoic acid methyl ester
SpectraBase Compound ID 3jFUPXH0R1w
InChI InChI=1S/C8H11BrO2/c1-11-8(10)6-4-2-3-5-7-9/h2,4,6-7H2,1H3
InChIKey ORMJOYKCTLOKIS-UHFFFAOYSA-N
Mol Weight 219.08 g/mol
Molecular Formula C8H11BrO2
Exact Mass 217.994243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BmafIegI3qr
Name 7-Bromo-5-heptynoic acid, methyl ester
CAS Registry Number 41349-38-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H11BrO2
InChI InChI=1S/C8H11BrO2/c1-11-8(10)6-4-2-3-5-7-9/h2,4,6-7H2,1H3
InChIKey ORMJOYKCTLOKIS-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference F. Theil, M. Henning, H. Schick, J. Prakt. Chem. 327, 917 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3