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Ethyl 4-(6-n-butyl-2-oxo-2H-pyrano[2,3,4-de]chromen-5-yl)benzoate
SpectraBase Compound ID Ad2V46whotL
InChI InChI=1S/C24H22O5/c1-3-5-7-18-17-8-6-9-19-22(17)20(14-21(25)28-19)29-23(18)15-10-12-16(13-11-15)24(26)27-4-2/h6,8-14H,3-5,7H2,1-2H3
InChIKey TZMKERMUUKBTAS-UHFFFAOYSA-N
Mol Weight 390.44 g/mol
Molecular Formula C24H22O5
Exact Mass 390.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LbL4j74JeG3
Name Ethyl 4-(6-n-butyl-2-oxo-2H-pyrano[2,3,4-de]chromen-5-yl)benzoate
Alternate Name(s) Ethyl 4-(6-butyl-2-oxo-2H-pyrano[2,3,4-de]chromen-5-yl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22O5
InChI InChI=1S/C24H22O5/c1-3-5-7-18-17-8-6-9-19-22(17)20(14-21(25)28-19)29-23(18)15-10-12-16(13-11-15)24(26)27-4-2/h6,8-14H,3-5,7H2,1-2H3
InChIKey TZMKERMUUKBTAS-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol301387t
Molecular Weight 390.435 g/mol
SMILES c1c2c3c(cc1)OC(C=C3OC(c1ccc(cc1)C(OCC)=O)=C2CCCC)=O
SPLASH splash10-006x-0179000000-493c51d1a36b0fb3daca
Source of Spectrum A1-14-3416/SMS16-5ao
Wiley ID 1750332