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1,7-Dihydroxy-4-methoxy-1-(2-oxopropyl)-1H-phenanthren-2-one
SpectraBase Compound ID FVCy1Dub1Gh
InChI InChI=1S/C18H16O5/c1-10(19)9-18(22)14-6-3-11-7-12(20)4-5-13(11)17(14)15(23-2)8-16(18)21/h3-8,20,22H,9H2,1-2H3
InChIKey SWSOAHKDNLMNLA-UHFFFAOYSA-N
Mol Weight 312.32 g/mol
Molecular Formula C18H16O5
Exact Mass 312.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JrCsEDOzk3p
Name 1,7-Dihydroxy-4-methoxy-1-(2-oxopropyl)-1H-phenanthren-2-one
Appearance Yellowish needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O5
InChI InChI=1S/C18H16O5/c1-10(19)9-18(22)14-6-3-11-7-12(20)4-5-13(11)17(14)15(23-2)8-16(18)21/h3-8,20,22H,9H2,1-2H3
InChIKey SWSOAHKDNLMNLA-UHFFFAOYSA-N
Instrument Name Micromass Autospec-Ultima ETOF
Ionization Type EI Positive ion
Literature Reference DOI 10.1021/np060087n
Molecular Weight 312.321 g/mol
Reported Formula C18H16O5
SMILES OC1(C(C=C(c2c3ccc(cc3ccc12)O)OC)=O)CC(C)=O
SPLASH splash10-01s9-0190000000-5be6cd055bb61c310f88
Source of Spectrum G4-69-SM9-2
Wiley ID 1874227