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1-Bromo-2-isopropylnaphthalene, monopicrate

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

1-Bromo-2-isopropylnaphthalene, monopicrate
SpectraBase Compound ID BoyHlxwnKBW
InChI InChI=1S/C13H13Br.C6H3N3O7/c1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-9H,1-2H3;1-2,10H
InChIKey DVCHOJSQEFPTJY-UHFFFAOYSA-N
Mol Weight 478.25 g/mol
Molecular Formula C19H16BrN3O7
Exact Mass 477.017163 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CPmEhyDy4Oh
Name 1-Bromo-2-isopropylnaphthalene, monopicrate
Comments Computed using HOSE algorithm
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Exact Mass 477.017162860 u
Formula C19H16BrN3O7
InChI InChI=1S/C13H13Br.C6H3N3O7/c1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-9H,1-2H3;1-2,10H
InChIKey DVCHOJSQEFPTJY-UHFFFAOYSA-N
Molecular Weight 478.255 g/mol
SMILES N(=O)(=O)C=1C=C(C=C(C1O)N(=O)=O)N(=O)=O.C=12C=CC=CC1C=CC(=C2Br)C(C)C