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3-Ethynylcoumarin
SpectraBase Compound ID Brzo2LO7bC1
InChI InChI=1S/C11H6O2/c1-2-8-7-9-5-3-4-6-10(9)13-11(8)12/h1,3-7H
InChIKey UAVDZBQEHCOCEJ-UHFFFAOYSA-N
Mol Weight 170.17 g/mol
Molecular Formula C11H6O2
Exact Mass 170.036779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DH8TTWpECMl
Name 3-Ethynylcoumarin
Alternate Name(s) 3-Ethynyl-1-benzopyran-2-one 3-Ethynylchromen-2-one 3-Ethynyl-2H-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H6O2
InChI InChI=1S/C11H6O2/c1-2-8-7-9-5-3-4-6-10(9)13-11(8)12/h1,3-7H
InChIKey UAVDZBQEHCOCEJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.19980160607
Molecular Weight 170.167 g/mol
SMILES C=1c2ccccc2OC(=O)C1C#C
SPLASH splash10-00dl-0900000000-afaa4898264680bb406a
Source of Spectrum CJC-16-530-2
Wiley ID 1773373