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4-Chlorobenzoic acid 4-ketopentyl ester

View entire compound with spectra: 1 MS (GC)

4-Chlorobenzoic acid 4-ketopentyl ester
SpectraBase Compound ID 4QNm3NmtYeg
InChI InChI=1S/C12H13ClO3/c1-9(14)3-2-8-16-12(15)10-4-6-11(13)7-5-10/h4-7H,2-3,8H2,1H3
InChIKey FSRDCQRKLDGCLV-UHFFFAOYSA-N
Mol Weight 240.69 g/mol
Molecular Formula C12H13ClO3
Exact Mass 240.055322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kep4sLvHb23
Name 4-Chlorobenzoic acid 4-ketopentyl ester
Alternate Name(s) 4-Chlorobenzoic acid 4-oxopentyl ester 4-Oxidanylidenepentyl 4-chloranylbenzoate 4-Oxopentyl 4-chlorobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13ClO3
InChI InChI=1S/C12H13ClO3/c1-9(14)3-2-8-16-12(15)10-4-6-11(13)7-5-10/h4-7H,2-3,8H2,1H3
InChIKey FSRDCQRKLDGCLV-UHFFFAOYSA-N
Molecular Weight 240.686 g/mol
SMILES C(c1ccc(cc1)Cl)(=O)OCCCC(=O)C
SPLASH splash10-0gwo-2900000000-7017df733cf0f26eea7f
Source of Spectrum J-61-5566-3
Wiley ID 1242613