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SWERILACTONE_O
SpectraBase Compound ID DpbSamARfKU
InChI InChI=1S/C13H12O3/c1-9(14)5-6-10-3-2-4-12-11(10)7-8-16-13(12)15/h2-6H,7-8H2,1H3/b6-5+
InChIKey RINHRISDQZMBAU-AATRIKPKSA-N
Mol Weight 216.24 g/mol
Molecular Formula C13H12O3
Exact Mass 216.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fgcgekeX9A
Name Swerilactone O
Appearance Colorless gum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O3
InChI InChI=1S/C13H12O3/c1-9(14)5-6-10-3-2-4-12-11(10)7-8-16-13(12)15/h2-6H,7-8H2,1H3/b6-5+
InChIKey RINHRISDQZMBAU-AATRIKPKSA-N
Instrument Name VG Auto Spec-3000
Ionization Type EI
Literature Reference DOI 10.1021/np200256b
Molecular Weight 216.236 g/mol
Reported Formula C13H12O3
SMILES C1OC(c2c(C1)c(ccc2)\C=C\C(C)=O)=O
SPLASH splash10-0gdi-1910000000-8d69b5a3a73e83bdf2ef
Source of Spectrum G4-74-SM42-4
Wiley ID 1852098