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Benzoic acid, 2-hydroxy-4,6-dimethyl-3-nitro-, methyl ester
SpectraBase Compound ID BwnzD8t9Rrg
InChI InChI=1S/C10H11NO5/c1-5-4-6(2)8(11(14)15)9(12)7(5)10(13)16-3/h4,12H,1-3H3
InChIKey JGACJCGIFHPDSM-UHFFFAOYSA-N
Mol Weight 225.2 g/mol
Molecular Formula C10H11NO5
Exact Mass 225.063722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQgcLkX3Qal
Name Benzoic acid, 2-hydroxy-4,6-dimethyl-3-nitro-, methyl ester
CAS Registry Number 87730-81-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11NO5
InChI InChI=1S/C10H11NO5/c1-5-4-6(2)8(11(14)15)9(12)7(5)10(13)16-3/h4,12H,1-3H3
InChIKey JGACJCGIFHPDSM-UHFFFAOYSA-N
Molecular Weight 225.200 g/mol
SMILES Oc1c(C(=O)OC)c(cc(c1N(=O)=O)C)C
SPLASH splash10-0006-3920000000-908a6844de00ac4375b3
Source of Spectrum H-66-1484-0
Synonyms Methyl 2-hydroxy-4,6-dimethyl-3-nitrobenzoate 2-Hydroxy-4,6-dimethyl-3-nitrobenzoic acid methyl ester Methyl 2-hydroxy-4,6-dimethyl-3-nitro-benzoate Methyl 4,6-dimethyl-3-nitro-2-oxidanyl-benzoate
Wiley ID 1226202