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2-Tert-butylnaphthalene, monopicrate

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

2-Tert-butylnaphthalene, monopicrate
SpectraBase Compound ID 3fxOfVUC5a3
InChI InChI=1S/C14H16.C6H3N3O7/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-10H,1-3H3;1-2,10H
InChIKey NQJKDSLZEMRQSF-UHFFFAOYSA-N
Mol Weight 413.39 g/mol
Molecular Formula C20H19N3O7
Exact Mass 413.1223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1tDcJUv7v2h
Name 2-Tert-butylnaphthalene, monopicrate
Comments Computed using HOSE algorithm
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Exact Mass 413.122299957 u
Formula C20H19N3O7
InChI InChI=1S/C14H16.C6H3N3O7/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-10H,1-3H3;1-2,10H
InChIKey NQJKDSLZEMRQSF-UHFFFAOYSA-N
Molecular Weight 413.386 g/mol
SMILES N(=O)(=O)C=1C(=C(C=C(C1)N(=O)=O)N(=O)=O)O.C=12C=CC=CC1C=CC(=C2)C(C)(C)C