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1-Propyltridecyl 4-nitrobenzoate
SpectraBase Compound ID ESJj2OlAu2p
InChI InChI=1S/C23H37NO4/c1-3-5-6-7-8-9-10-11-12-13-15-22(14-4-2)28-23(25)20-16-18-21(19-17-20)24(26)27/h16-19,22H,3-15H2,1-2H3
InChIKey FQJAAHYQKHMITB-UHFFFAOYSA-N
Mol Weight 391.6 g/mol
Molecular Formula C23H37NO4
Exact Mass 391.272259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iz6gSjXZvBt
Name 1-Propyltridecyl 4-nitrobenzoate
Alternate Name(s) 4-Nitrobenzoic acid, 4-hexadecyl ester 4-Nitrobenzoic acid hexadecan-4-yl ester Hexadecan-4-yl 4-nitrobenzoate
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Formula C23H37NO4
InChI InChI=1S/C23H37NO4/c1-3-5-6-7-8-9-10-11-12-13-15-22(14-4-2)28-23(25)20-16-18-21(19-17-20)24(26)27/h16-19,22H,3-15H2,1-2H3
InChIKey FQJAAHYQKHMITB-UHFFFAOYSA-N
Molecular Weight 391.552 g/mol
SMILES C(CCCCCCCC)CCCC(CCC)OC(=O)c1ccc(cc1)N(=O)=O
SPLASH splash10-0udi-4900000000-28114f5737676f4bcc67
Source of Spectrum NP-14-2346-0
Wiley ID 1111621