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3-Cyclopropyl-4-(4-methoxyphenyl)-6,8-dimethyl-1H-isochromen-1-one
SpectraBase Compound ID JV83avPf4wH
InChI InChI=1S/C21H20O3/c1-12-10-13(2)18-17(11-12)19(14-6-8-16(23-3)9-7-14)20(15-4-5-15)24-21(18)22/h6-11,15H,4-5H2,1-3H3
InChIKey GJHQCOCFAWTDFK-UHFFFAOYSA-N
Mol Weight 320.39 g/mol
Molecular Formula C21H20O3
Exact Mass 320.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24kQOuNxxyy
Name 3-Cyclopropyl-4-(4-methoxyphenyl)-6,8-dimethyl-1H-isochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O3
InChI InChI=1S/C21H20O3/c1-12-10-13(2)18-17(11-12)19(14-6-8-16(23-3)9-7-14)20(15-4-5-15)24-21(18)22/h6-11,15H,4-5H2,1-3H3
InChIKey GJHQCOCFAWTDFK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201500600
Molecular Weight 320.388 g/mol
SMILES C1(OC(=C(c2cc(cc(c12)C)C)c1ccc(cc1)OC)C1CC1)=O
SPLASH splash10-00di-1289000000-ed4ae4730cc6e79100e3
Source of Spectrum ACI-54-5513/SMS36-3gk'
Wiley ID 1761167