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Isopropyl 4-nitrobenzoate

View entire compound with spectra: 3 NMR, 1 FTIR, and 4 MS (GC)

Isopropyl 4-nitrobenzoate
SpectraBase Compound ID FsII9uqzM7j
InChI InChI=1S/C10H11NO4/c1-7(2)15-10(12)8-3-5-9(6-4-8)11(13)14/h3-7H,1-2H3
InChIKey JSZSPHFHMMXJEU-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 G4xTPIplCcX
Name Benzoic acid, 4-nitro-, 1-methylethyl ester
CAS Registry Number 13756-40-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11NO4
InChI InChI=1S/C10H11NO4/c1-7(2)15-10(12)8-3-5-9(6-4-8)11(13)14/h3-7H,1-2H3
InChIKey JSZSPHFHMMXJEU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201408516
Molecular Weight 209.201 g/mol
SMILES c1cc(ccc1[N+](=O)[O-])C(OC(C)C)=O
SPLASH splash10-0uxr-0900000000-414a516fa7bbd455b501
Source of Spectrum ACI-54-2270/SM-2i
Synonyms Isopropyl 4-nitrobenzoate 4-Nitrobenzoic acid isopropyl ester 4-Nitrobenzoic acid propan-2-yl ester Benzoic acid, 4-nitro, isopropyl ester Propan-2-yl 4-nitrobenzoate i-Propyl 4-nitrobenzoate 4-Nitrobenzoic acid, isopropyl ester
Wiley ID 1760269