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3-(But-2-enyl)-7-methoxycoumarin
SpectraBase Compound ID JeKavKEmUCi
InChI InChI=1S/C14H14O3/c1-3-4-5-11-8-10-6-7-12(16-2)9-13(10)17-14(11)15/h3-4,6-9H,5H2,1-2H3/b4-3+
InChIKey PQHSLKQTEKBKGX-ONEGZZNKSA-N
Mol Weight 230.26 g/mol
Molecular Formula C14H14O3
Exact Mass 230.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AlkbybwMu87
Name 3-(But-2-enyl)-7-methoxycoumarin
Alternate Name(s) 3-[(2E)-2-butenyl]-7-methoxy-2H-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O3
InChI InChI=1S/C14H14O3/c1-3-4-5-11-8-10-6-7-12(16-2)9-13(10)17-14(11)15/h3-4,6-9H,5H2,1-2H3/b4-3+
InChIKey PQHSLKQTEKBKGX-ONEGZZNKSA-N
Molecular Weight 230.263 g/mol
SMILES C1(Oc2cc(OC)ccc2C=C1C\C=C\C)=O
SPLASH splash10-001r-0790000000-dc4bc68081adb13c035c
Source of Spectrum KC-0-3106-5
Wiley ID 782498