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5-Nitrovanillin

View entire compound with spectra: 5 NMR, 4 FTIR, 1 Raman, 3 UV-Vis, and 1 MS (GC)

5-Nitrovanillin
SpectraBase Compound ID Hgm6tmovffe
InChI InChI=1S/C8H7NO5/c1-14-7-3-5(4-10)2-6(8(7)11)9(12)13/h2-4,11H,1H3
InChIKey ZEHYRTJBFMZHCY-UHFFFAOYSA-N
Mol Weight 197.15 g/mol
Molecular Formula C8H7NO5
Exact Mass 197.032422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B5vRz5yG4WN
Name Benzaldehyde, 4-hydroxy-3-methoxy-5-nitro-
Alternate Name(s) 4-Hydroxy-3-methoxy-5-nitrobenzaldehyde 5-Nitrovanillin Vanillin, 5-nitro- EINECS 229-633-2
CAS Registry Number 6635-20-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO5
InChI InChI=1S/C8H7NO5/c1-14-7-3-5(4-10)2-6(8(7)11)9(12)13/h2-4,11H,1H3
InChIKey ZEHYRTJBFMZHCY-UHFFFAOYSA-N
Molecular Weight 197.146 g/mol
SMILES Oc1c(N(=O)=O)cc(cc1OC)C=O
SPLASH splash10-0udj-8900000000-ffe634a05fc544a633e2
Source of Spectrum T-68-1055-0
Wiley ID 1194260