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4-Methylpentyl 4-nitrobenzoate

View entire compound with spectra: 1 MS (GC)

4-Methylpentyl 4-nitrobenzoate
SpectraBase Compound ID G4dzMEeyYI9
InChI InChI=1S/C13H17NO4/c1-10(2)4-3-9-18-13(15)11-5-7-12(8-6-11)14(16)17/h5-8,10H,3-4,9H2,1-2H3
InChIKey XVIIQKJLXBBPHA-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55takw4Kcy
Name 4-Methylpentyl 4-nitrobenzoate
Alternate Name(s) 4-Nitrobenzoic acid, 4-methylpentyl ester 4-Nitrobenzoic acid 4-methylpentyl ester isohexyl 4-nitrobenzoate
CAS Registry Number 59302-13-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-10(2)4-3-9-18-13(15)11-5-7-12(8-6-11)14(16)17/h5-8,10H,3-4,9H2,1-2H3
InChIKey XVIIQKJLXBBPHA-UHFFFAOYSA-N
Molecular Weight 251.282 g/mol
SMILES c1cc(C(OCCCC(C)C)=O)ccc1N(=O)=O
SPLASH splash10-0ue9-9600000000-f1b5b1ee3afae06436d2
Source of Spectrum NP-7-1657-0
Wiley ID 1106324