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2-[4-(Methoxycarbonyl)cyclohexyl]-1,4-benzoquinone-3,5-18-crown-5
SpectraBase Compound ID 7euSMQ2HEtd
InChI InChI=1S/C24H34O9/c1-28-24(27)18-4-2-17(3-5-18)22-20-16-33-13-11-31-9-7-29-6-8-30-10-12-32-15-19(23(20)26)14-21(22)25/h14,17-18H,2-13,15-16H2,1H3
InChIKey JUXZAXOLZFNFKM-UHFFFAOYSA-N
Mol Weight 466.5 g/mol
Molecular Formula C24H34O9
Exact Mass 466.220283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FVRtdi3r13a
Name 2-[4-(Methoxycarbonyl)cyclohexyl]-1,4-benzoquinone-3,5-18-crown-5
Alternate Name(s) Methyl 4-[19,21-dioxo-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(20),17-dien-18-yl]cyclohexanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O9
InChI InChI=1S/C24H34O9/c1-28-24(27)18-4-2-17(3-5-18)22-20-16-33-13-11-31-9-7-29-6-8-30-10-12-32-15-19(23(20)26)14-21(22)25/h14,17-18H,2-13,15-16H2,1H3
InChIKey JUXZAXOLZFNFKM-UHFFFAOYSA-N
Molecular Weight 466.527 g/mol
SMILES C12=C(C(=O)C=C(C2=O)COCCOCCOCCOCCOC1)C1CCC(C(=O)OC)CC1
SPLASH splash10-00di-0090100000-cc4571c6242186e49d8d
Source of Spectrum F-51-3545-9
Wiley ID 791465