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2-Chloro-4-ferrocenylbenzoic acid

View entire compound with spectra: 1 MS (GC)

2-Chloro-4-ferrocenylbenzoic acid
SpectraBase Compound ID ALKsWj3YrBE
InChI InChI=1S/C12H8ClO2.C5H5.Fe/c13-11-7-9(8-3-1-2-4-8)5-6-10(11)12(14)15;1-2-4-5-3-1;/h1-7H,(H,14,15);1-5H;
InChIKey RHISZLWAIJFVPM-UHFFFAOYSA-N
Mol Weight 331.515 g/mol
Molecular Formula C17H4ClFeO2
Exact Mass 330.924918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYPzIWOkN56
Name 2-Chloro-4-ferrocenylbenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13ClFeO2
InChI InChI=1S/C12H8ClO2.C5H5.Fe/c13-11-7-9(8-3-1-2-4-8)5-6-10(11)12(14)15;1-2-4-5-3-1;/h1-7H,(H,14,15);1-5H;
InChIKey RHISZLWAIJFVPM-UHFFFAOYSA-N
Molecular Weight 331.515 g/mol
SMILES [C]1[C][C][C][C]1.OC(c1c(cc([C]2[C][C][C][C]2)cc1)Cl)=O.[Fe]
SPLASH splash10-0a59-9200000000-8e897e832c6e85a72fac
Source of Spectrum AU-665-58-0
Wiley ID 1575504