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(+)-Usnic acid
SpectraBase Compound ID 5vXYrcMs7B2
InChI InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3/t11?,18-/m0/s1
InChIKey CUCUKLJLRRAKFN-MCEAHNFKSA-N
Mol Weight 344.32 g/mol
Molecular Formula C18H16O7
Exact Mass 344.089603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7CYjueUeJjM
Name (+)-Usnic acid
CAS Registry Number 125-46-2
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 344.089602848 u
Formula C18H16O7
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3/t11?,18-/m0/s1
InChIKey CUCUKLJLRRAKFN-MCEAHNFKSA-N
Molecular Weight 344.319 g/mol
Nominal Mass 344 u
Number of Peaks 250
SMILES Oc1c(c2OC=3[C@@](c2c(O)c1C)(C(C(C(C3)=O)C(=O)C)=O)C)C(=O)C
SPLASH splash10-001i-1192000000-5356bbd9c52ba84bf8e0
Source Cladonia arbuscula
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI001051