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1,2-Benzenedicarboxylic acid, 3-amino-, dipentyl ester
SpectraBase Compound ID JJ0UCKKZkXl
InChI InChI=1S/C18H27NO4/c1-3-5-7-12-22-17(20)14-10-9-11-15(19)16(14)18(21)23-13-8-6-4-2/h9-11H,3-8,12-13,19H2,1-2H3
InChIKey VZBASFQTJLLKBY-UHFFFAOYSA-N
Mol Weight 321.42 g/mol
Molecular Formula C18H27NO4
Exact Mass 321.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jnIpCd78ly
Name 1,2-Benzenedicarboxylic acid, 3-amino-, dipentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO4
InChI InChI=1S/C18H27NO4/c1-3-5-7-12-22-17(20)14-10-9-11-15(19)16(14)18(21)23-13-8-6-4-2/h9-11H,3-8,12-13,19H2,1-2H3
InChIKey VZBASFQTJLLKBY-UHFFFAOYSA-N
Molecular Weight 321.417 g/mol
SMILES Nc1cccc(C(OCCCCC)=O)c1C(=O)OCCCCC
SPLASH splash10-03dl-6901000000-04076da2a7e0e2fdd628
Source of Spectrum JX-2015-3-269
Synonyms Dipentyl 3-aminophthalate Dipentyl 3-aminobenzene-1,2-dicarboxylate 3-Aminobenzene-1,2-dicarboxylic acid dipentyl ester Dipentyl 3-azanylbenzene-1,2-dicarboxylate
Wiley ID 1723847