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1,8-Dimethyl-4-isopropyl-5-methoxynaphthalene, picrate

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

1,8-Dimethyl-4-isopropyl-5-methoxynaphthalene, picrate
SpectraBase Compound ID IBnfcvq9X4f
InChI InChI=1S/C16H20O.C6H3N3O7/c1-10(2)13-8-6-11(3)15-12(4)7-9-14(17-5)16(13)15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-10H,1-5H3;1-2,10H
InChIKey JNTIJWHVWZKVLL-UHFFFAOYSA-N
Mol Weight 457.44 g/mol
Molecular Formula C22H23N3O8
Exact Mass 457.148515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KXwlat6eDd8
Name 1,8-Dimethyl-4-isopropyl-5-methoxynaphthalene, picrate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.148514705 u
Formula C22H23N3O8
InChI InChI=1S/C16H20O.C6H3N3O7/c1-10(2)13-8-6-11(3)15-12(4)7-9-14(17-5)16(13)15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-10H,1-5H3;1-2,10H
InChIKey JNTIJWHVWZKVLL-UHFFFAOYSA-N
Molecular Weight 457.439 g/mol
SMILES N(=O)(=O)C1=CC(=C(C(=C1)N(=O)=O)O)N(=O)=O.CC(C=1C2=C(C(C)=CC=C2OC)C(C)=CC1)C