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Benzoic acid, 4-nitro-, propyl ester
SpectraBase Compound ID KE1MicvzKHP
InChI InChI=1S/C10H11NO4/c1-2-7-15-10(12)8-3-5-9(6-4-8)11(13)14/h3-6H,2,7H2,1H3
InChIKey KXUOYHZSTGGNCK-UHFFFAOYSA-N
Mol Weight 209.2 g/mol
Molecular Formula C10H11NO4
Exact Mass 209.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60Pxq43fNxR
Name Propyl 4-nitrobenzoate
Appearance Pale yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11NO4
InChI InChI=1S/C10H11NO4/c1-2-7-15-10(12)8-3-5-9(6-4-8)11(13)14/h3-6H,2,7H2,1H3
InChIKey KXUOYHZSTGGNCK-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.202011039
Molecular Weight 209.201 g/mol
SMILES c1cc(ccc1[N+]([O-])=O)C(=O)OCCC
SPLASH splash10-0gdi-2900000000-9e1ea98e7bb1bf02c30b
Source of Spectrum ACI-60-SM21-4
Wiley ID 1880506