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2-Bromoheptanoic acid, ethyl ester

View entire compound with spectra: 4 NMR, 4 FTIR, and 1 Raman

2-Bromoheptanoic acid, ethyl ester
SpectraBase Compound ID 3ugV41P43qL
InChI InChI=1S/C9H17BrO2/c1-3-5-6-7-8(10)9(11)12-4-2/h8H,3-7H2,1-2H3
InChIKey GNCLPIAYAPQPOU-UHFFFAOYSA-N
Mol Weight 237.14 g/mol
Molecular Formula C9H17BrO2
Exact Mass 236.041193 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AWUTcBi6iv2
Name (+/-)-Ethyl 2-bromoheptanoate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 280321
CAS Registry Number 5333-88-0
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H17BrO2
InChI 1S/C9H17BrO2/c1-3-5-6-7-8(10)9(11)12-4-2/h8H,3-7H2,1-2H3
InChIKey GNCLPIAYAPQPOU-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_005196