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Xanthotoxin
SpectraBase Compound ID 4oKGjGfjICN
InChI InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
InChIKey QXKHYNVANLEOEG-UHFFFAOYSA-N
Mol Weight 216.19 g/mol
Molecular Formula C12H8O4
Exact Mass 216.042259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HGXEoxXCco
Name 7H-FURO[3,2-g][1]BENZOPYRAN-7-ONE, 9-METHOXY-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H8O4
InChI InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
InChIKey QXKHYNVANLEOEG-UHFFFAOYSA-N
Molecular Weight 216.0420
SMILES c1oc2c(cc3c(c2OC)OC(=O)C=C3)c1
SPLASH splash10-014i-9670000000-3e0fa2e9c81c3bc1d936
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany