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4-Cyclopropyl-3-(4-methoxyphenyl)-6,8-dimethyl-1H-isochromen-1-one
SpectraBase Compound ID 9MFEBZaL7DY
InChI InChI=1S/C21H20O3/c1-12-10-13(2)18-17(11-12)19(14-4-5-14)20(24-21(18)22)15-6-8-16(23-3)9-7-15/h6-11,14H,4-5H2,1-3H3
InChIKey NZNVKQLVUBLGKI-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 7sMVXmhLEYu
Name 4-Cyclopropyl-3-(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(14-4-5-14)20(24-21(18)22)15-6-8-16(23-3)9-7-15/h6-11,14H,4-5H2,1-3H3
InChIKey NZNVKQLVUBLGKI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201500600
Molecular Weight 320.388 g/mol
SMILES C1(OC(=C(c2cc(cc(c12)C)C)C1CC1)c1ccc(cc1)OC)=O
SPLASH splash10-020d-4696000000-57a2fa52c4e5fe2e2cd4
Source of Spectrum ACI-54-5513/SMS36-3gk
Wiley ID 1761168