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4-n-Butyl-3-(4-methoxyphenyl)-8-methyl-1H-isochromen-1-one
SpectraBase Compound ID EpACTmdPBob
InChI InChI=1S/C21H22O3/c1-4-5-8-18-17-9-6-7-14(2)19(17)21(22)24-20(18)15-10-12-16(23-3)13-11-15/h6-7,9-13H,4-5,8H2,1-3H3
InChIKey HRVBJVWFHFMNRP-UHFFFAOYSA-N
Mol Weight 322.4 g/mol
Molecular Formula C21H22O3
Exact Mass 322.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5xqlo3mrwJ
Name 4-n-Butyl-3-(4-methoxyphenyl)-8-methyl-1H-isochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O3
InChI InChI=1S/C21H22O3/c1-4-5-8-18-17-9-6-7-14(2)19(17)21(22)24-20(18)15-10-12-16(23-3)13-11-15/h6-7,9-13H,4-5,8H2,1-3H3
InChIKey HRVBJVWFHFMNRP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201500600
Molecular Weight 322.404 g/mol
SMILES C=1(CCCC)c2cccc(c2C(OC1c1ccc(cc1)OC)=O)C
SPLASH splash10-0uk9-0193000000-b1cc8dd5929cebd6abac
Source of Spectrum ACI-54-5513/SMS28-3af
Synonyms 4-Butyl-3-(4-methoxyphenyl)-8-methyl-1H-isochromen-1-one
Wiley ID 1761150