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ASPIDINOL_C
SpectraBase Compound ID Hiz8gbKDy5a
InChI InChI=1S/C13H18O4/c1-7(2)5-9(14)12-10(15)6-11(17-4)8(3)13(12)16/h6-7,15-16H,5H2,1-4H3
InChIKey LFTHKHYHTUZOJP-UHFFFAOYSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BDKkmHOCfG
Name Aspidinol C
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-7(2)5-9(14)12-10(15)6-11(17-4)8(3)13(12)16/h6-7,15-16H,5H2,1-4H3
InChIKey LFTHKHYHTUZOJP-UHFFFAOYSA-N
Instrument Name Agilent 5973 N
Ionization Type EI
Literature Reference DOI 10.1021/np1004483
Molecular Weight 238.283 g/mol
Reported Formula C13H18O4
SMILES Oc1c(c(cc(c1C(=O)CC(C)C)O)OC)C
SPLASH splash10-001i-0930000000-f1c8babdde4fa5e7d3d5
Source of Spectrum G4-73-1819-3
Wiley ID 1848888