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3-(alpha-hydroxybenzyl)coumarin, isobutyrate
SpectraBase Compound ID As7LO0M3JoL
InChI InChI=1S/C20H18O4/c1-13(2)19(21)24-18(14-8-4-3-5-9-14)16-12-15-10-6-7-11-17(15)23-20(16)22/h3-13,18H,1-2H3
InChIKey YZUHWVHYLTVGLK-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C20H18O4
Exact Mass 322.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AkCGVTBMW1I
Name 3-(alpha-HYDROXYBENZYL)COUMARIN, ISOBUTYRATE
Source of Sample A. Bojilova and C. Ivanov, University of Sofia, Sofia, Bulgaria
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O4
InChI InChI=1S/C20H18O4/c1-13(2)19(21)24-18(14-8-4-3-5-9-14)16-12-15-10-6-7-11-17(15)23-20(16)22/h3-13,18H,1-2H3
InChIKey YZUHWVHYLTVGLK-UHFFFAOYSA-N
Melting Point 105-106C
Molecular Weight 322.37
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms COUMARIN, 3-/A-HYDROXYBENZYL/-, ISOBUTYRATE