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3-(4-Chloro-n-butyl)-6-methoxy-4-phenyl-1H-isochromen-1-one
SpectraBase Compound ID L4gMSdVW4bl
InChI InChI=1S/C20H19ClO3/c1-23-15-10-11-16-17(13-15)19(14-7-3-2-4-8-14)18(24-20(16)22)9-5-6-12-21/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3
InChIKey KXQIDMWFSLXZLN-UHFFFAOYSA-N
Mol Weight 342.82 g/mol
Molecular Formula C20H19ClO3
Exact Mass 342.102272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNYHDNv7zlC
Name 3-(4-Chloro-n-butyl)-6-methoxy-4-phenyl-1H-isochromen-1-one
Alternate Name(s) 3-(4-Chlorobutyl)-6-methoxy-4-phenyl-1H-isochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19ClO3
InChI InChI=1S/C20H19ClO3/c1-23-15-10-11-16-17(13-15)19(14-7-3-2-4-8-14)18(24-20(16)22)9-5-6-12-21/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3
InChIKey KXQIDMWFSLXZLN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201500600
Molecular Weight 342.822 g/mol
SMILES C1(OC(=C(c2cc(ccc12)OC)c1ccccc1)CCCCCl)=O
SPLASH splash10-0f6x-1579000000-95f5ee46040b293a85f9
Source of Spectrum ACI-54-5513/SMS34-3ri'
Wiley ID 1761186