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1-Ethylundecyl 4-nitrobenzoate
SpectraBase Compound ID DcINSMVdPPT
InChI InChI=1S/C20H31NO4/c1-3-5-6-7-8-9-10-11-12-19(4-2)25-20(22)17-13-15-18(16-14-17)21(23)24/h13-16,19H,3-12H2,1-2H3
InChIKey YQICIRVNPGJNHU-UHFFFAOYSA-N
Mol Weight 349.47 g/mol
Molecular Formula C20H31NO4
Exact Mass 349.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLab0BwCNuK
Name 1-Ethylundecyl 4-nitrobenzoate
Alternate Name(s) 4-Nitrobenzoic acid, 3-tridecyl ester 4-Nitrobenzoic acid tridecan-3-yl ester Tridecan-3-yl 4-nitrobenzoate
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Formula C20H31NO4
InChI InChI=1S/C20H31NO4/c1-3-5-6-7-8-9-10-11-12-19(4-2)25-20(22)17-13-15-18(16-14-17)21(23)24/h13-16,19H,3-12H2,1-2H3
InChIKey YQICIRVNPGJNHU-UHFFFAOYSA-N
Molecular Weight 349.471 g/mol
SMILES c1cc(C(OC(CCCCCCCCCC)CC)=O)ccc1N(=O)=O
SPLASH splash10-0ufu-9300000000-de5fb96e1f0ee6ba375a
Source of Spectrum NP-12-6774-0
Wiley ID 1110486