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3-(3-Hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-2,2-dimethylpropyl undecanoate
SpectraBase Compound ID ILXXij3X9D3
InChI InChI=1S/C26H36O5/c1-4-5-6-7-8-9-10-11-16-22(27)31-18-26(2,3)17-21-23(28)19-14-12-13-15-20(19)24(29)25(21)30/h12-15,30H,4-11,16-18H2,1-3H3
InChIKey YXGFFQOPOYMUHL-UHFFFAOYSA-N
Mol Weight 428.6 g/mol
Molecular Formula C26H36O5
Exact Mass 428.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AmhQPSOexj8
Name 3-(3-Hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-2,2-dimethylpropyl undecanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O5
InChI InChI=1S/C26H36O5/c1-4-5-6-7-8-9-10-11-16-22(27)31-18-26(2,3)17-21-23(28)19-14-12-13-15-20(19)24(29)25(21)30/h12-15,30H,4-11,16-18H2,1-3H3
InChIKey YXGFFQOPOYMUHL-UHFFFAOYSA-N
Molecular Weight 428.569 g/mol
SMILES OC1=C(C(c2c(cccc2)C1=O)=O)CC(COC(=O)CCCCCCCCCC)(C)C
SPLASH splash10-007c-4950000000-cd8dce78abc4328de457
Source of Spectrum EMC-60-282-18j
Wiley ID 1735427