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3-(3-Hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-2,2-dimethylpropyl dodecanoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(3-Hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-2,2-dimethylpropyl dodecanoate
SpectraBase Compound ID JXMDUYVgIJo
InChI InChI=1S/C27H38O5/c1-4-5-6-7-8-9-10-11-12-17-23(28)32-19-27(2,3)18-22-24(29)20-15-13-14-16-21(20)25(30)26(22)31/h13-16,31H,4-12,17-19H2,1-3H3
InChIKey LMXNVXCDRUCSAD-UHFFFAOYSA-N
Mol Weight 442.6 g/mol
Molecular Formula C27H38O5
Exact Mass 442.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BpDECt4Q0s7
Name 3-(3-Hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-2,2-dimethylpropyl dodecanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.271924319 u
Formula C27H38O5
InChI InChI=1S/C27H38O5/c1-4-5-6-7-8-9-10-11-12-17-23(28)32-19-27(2,3)18-22-24(29)20-15-13-14-16-21(20)25(30)26(22)31/h13-16,31H,4-12,17-19H2,1-3H3
InChIKey LMXNVXCDRUCSAD-UHFFFAOYSA-N
Molecular Weight 442.596 g/mol
SMILES C1(=C(C(=O)C=2C(C1=O)=CC=CC2)O)CC(COC(=O)CCCCCCCCCCC)(C)C