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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkhCJej7sw7
Name 3-(3-Hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-2,2-dimethylpropyl dodecanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 OC1=C(C(c2c(cccc2)C1=O)=O)CC(COC(=O)CCCCCCCCCCC)(C)C
SPLASH splash10-059i-3930000000-1f152b904e1817355cd6
Source of Spectrum EMC-60-282-18k
Wiley ID 1735426