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5-O-Methylembelin

View entire compound with spectra: 2 NMR, and 1 MS (GC)

5-O-Methylembelin
SpectraBase Compound ID HvgsqHxHNym
InChI InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(22-2)18(14)21/h13,20H,3-12H2,1-2H3
InChIKey KHBJLRRAMCJZLZ-UHFFFAOYSA-N
Mol Weight 308.42 g/mol
Molecular Formula C18H28O4
Exact Mass 308.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DV8lV6sLuqf
Name 5-O-Methylembelin
Alternate Name(s) 2-Hydroxy-5-methoxy-3-undecylcyclohexa-2,5-diene-1,4-dione 2-Hydroxy-5-methoxy-3-undecyl-1,4-benzoquinone 5-Methoxy-2-oxidanyl-3-undecyl-cyclohexa-2,5-diene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O4
InChI InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(22-2)18(14)21/h13,20H,3-12H2,1-2H3
InChIKey KHBJLRRAMCJZLZ-UHFFFAOYSA-N
Molecular Weight 308.418 g/mol
SMILES OC1=C(C(C(=CC1=O)OC)=O)CCCCCCCCCCC
SPLASH splash10-001i-0911000000-46fbd6171d7381b3bc36
Source of Spectrum E2-46-1228-7
Wiley ID 1554519