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Neo-tanshinlactone
SpectraBase Compound ID TRYswBxWJJ
InChI InChI=1S/C17H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)20-17(18)14-10(2)8-19-16(13)14/h3-8H,1-2H3
InChIKey LGZUUBFLEYOEEX-UHFFFAOYSA-N
Mol Weight 264.28 g/mol
Molecular Formula C17H12O3
Exact Mass 264.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2ioEs4vORj
Name Neo-tanshinlactone
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12O3
InChI InChI=1S/C17H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)20-17(18)14-10(2)8-19-16(13)14/h3-8H,1-2H3
InChIKey LGZUUBFLEYOEEX-UHFFFAOYSA-N
Instrument Name Finnigan GCQ GCMS
Ionization Type EI
Molecular Weight 264.280 g/mol
Reported Formula C17H12O3
SMILES c1cc2c(c(c1)C)ccc-1c2OC(c2c1occ2C)=O
SPLASH splash10-03di-0290000000-fd3c3753a7be72f0f1c6
Source of Spectrum US7795299B2
Wiley ID 1844187