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8-(1,1-Dimethylallyloxy)bergapten
SpectraBase Compound ID AX2gGnWLvSp
InChI InChI=1S/C17H16O5/c1-5-17(2,3)22-16-14-11(8-9-20-14)13(19-4)10-6-7-12(18)21-15(10)16/h5-9H,1H2,2-4H3
InChIKey YVKPHNFOUFNJCB-UHFFFAOYSA-N
Mol Weight 300.31 g/mol
Molecular Formula C17H16O5
Exact Mass 300.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpCG9gxK6KB
Name 8-(1,1-Dimethylallyloxy)bergapten
Alternate Name(s) 4-Methoxy-9-((2-methylbut-3-en-2-yl)oxy)-7H-furo[3,2-g]chromen-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O5
InChI InChI=1S/C17H16O5/c1-5-17(2,3)22-16-14-11(8-9-20-14)13(19-4)10-6-7-12(18)21-15(10)16/h5-9H,1H2,2-4H3
InChIKey YVKPHNFOUFNJCB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19751080916
Molecular Weight 300.310 g/mol
SMILES c1coc2c(OC(C)(C)C=C)c3OC(=O)C=Cc3c(OC)c12
SPLASH splash10-00lr-3090000000-d3566287f3063405cd46
Source of Spectrum K-108-2958-8
Wiley ID 1794035