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1,2-Benzenedicarboxylic acid, monopentyl ester
SpectraBase Compound ID GUb4K8PFzfD
InChI InChI=1S/C13H16O4/c1-2-3-6-9-17-13(16)11-8-5-4-7-10(11)12(14)15/h4-5,7-8H,2-3,6,9H2,1H3,(H,14,15)
InChIKey FPGPRAKRYDSZAW-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JtkKPkKHh59
Name 1,2-Benzenedicarboxylic acid, monopentyl ester
Alternate Name(s) 2-Amoxycarbonylbenzoic acid 2-Pentoxycarbonylbenzoic acid 2-[(pentyloxy)carbonyl]benzoic acid 2-[oxo(pentoxy)methyl]benzoic acid Mono-n-pentyl phthalate Monoamyl phthalate Phthalic acid, monopentyl ester
CAS Registry Number 24539-56-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-2-3-6-9-17-13(16)11-8-5-4-7-10(11)12(14)15/h4-5,7-8H,2-3,6,9H2,1H3,(H,14,15)
InChIKey FPGPRAKRYDSZAW-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES OC(c1c(C(=O)OCCCCC)cccc1)=O
SPLASH splash10-0002-6900000000-f8c5152c7f8ebfe7a05d
Source of Spectrum AA-0-1664-2
Wiley ID 32071