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4-Nitro-benzoic acid, 1-methyl-heptyl ester

View entire compound with spectra: 5 MS (GC)

4-Nitro-benzoic acid, 1-methyl-heptyl ester
SpectraBase Compound ID BVJ9pEjxTgo
InChI InChI=1S/C15H21NO4/c1-3-4-5-6-7-12(2)20-15(17)13-8-10-14(11-9-13)16(18)19/h8-12H,3-7H2,1-2H3
InChIKey BGMDLHOQWYCYBI-UHFFFAOYSA-N
Mol Weight 279.34 g/mol
Molecular Formula C15H21NO4
Exact Mass 279.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3J7xjFFKU
Name 4-Nitro-benzoic acid, 1-methyl-heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO4
InChI InChI=1S/C15H21NO4/c1-3-4-5-6-7-12(2)20-15(17)13-8-10-14(11-9-13)16(18)19/h8-12H,3-7H2,1-2H3
InChIKey BGMDLHOQWYCYBI-UHFFFAOYSA-N
Molecular Weight 279.336 g/mol
SMILES C(=O)(c1ccc(cc1)N(=O)=O)OC(C)CCCCCC
SPLASH splash10-0udi-9500000000-879e91950bccee633b28
Synonyms 1-Methylheptyl 4-nitrobenzoate 4-Nitrobenzoic acid 1-methylheptyl ester 4-Nitrobenzoic acid octan-2-yl ester 4-Nitrobenzoic acid, 2-octyl ester Octan-2-yl 4-nitrobenzoate
Wiley ID 1484257