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4-Nitrobenzyl butyrate
SpectraBase Compound ID LL0xEgp6ALY
InChI InChI=1S/C11H13NO4/c1-2-3-11(13)16-8-9-4-6-10(7-5-9)12(14)15/h4-7H,2-3,8H2,1H3
InChIKey BHLGNSYVXYRYCK-UHFFFAOYSA-N
Mol Weight 223.23 g/mol
Molecular Formula C11H13NO4
Exact Mass 223.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6sFLoNudcxV
Name 4-Nitrobenzyl butyrate
Appearance Yellow oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.084457899 u
Formula C11H13NO4
GC Column HP-5
InChI InChI=1S/C11H13NO4/c1-2-3-11(13)16-8-9-4-6-10(7-5-9)12(14)15/h4-7H,2-3,8H2,1H3
InChIKey BHLGNSYVXYRYCK-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.202003752
Molecular Weight 223.228 g/mol
Quality 158
SMILES C1([N+](=O)[O-])=CC=C(C=C1)COC(CCC)=O
SPLASH splash10-00dr-9310000000-7840c431f83c637e3398
Source of Spectrum QE-27-SM40-5d (DOI: 10.1002/chem.202003752)
Wiley ID 1904004