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3-Bromobenzoic acid cyclopentyl ester
SpectraBase Compound ID 7Qf7bE417hZ
InChI InChI=1S/C12H13BrO2/c13-10-5-3-4-9(8-10)12(14)15-11-6-1-2-7-11/h3-5,8,11H,1-2,6-7H2
InChIKey NQGVGRSZXLFDNC-UHFFFAOYSA-N
Mol Weight 269.14 g/mol
Molecular Formula C12H13BrO2
Exact Mass 268.009893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZUZKmZxaq
Name 3-Bromobenzoic acid cyclopentyl ester
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 268.009892657 u
Formula C12H13BrO2
InChI InChI=1S/C12H13BrO2/c13-10-5-3-4-9(8-10)12(14)15-11-6-1-2-7-11/h3-5,8,11H,1-2,6-7H2
InChIKey NQGVGRSZXLFDNC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 269.138 g/mol
Nominal Mass 268 u
Quality 937
Retention Index 1659
SMILES C=1(C(OC2CCCC2)=O)C=C(C=CC1)Br
SPLASH splash10-1039-9830000000-4859303a557942f6ff4b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms cyclopentyl 3-bromobenzoate
Technique GC/MS
Wiley ID DD2024_007128