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2-Chloro-7-(3-acetoxypropoxy)-10,11-dihydro-dibenzo[a,d]-cyclohepten-5-one
SpectraBase Compound ID I6SxLF1fpJX
InChI InChI=1S/C20H19ClO4/c1-13(22)24-9-2-10-25-17-7-5-14-3-4-15-11-16(21)6-8-18(15)20(23)19(14)12-17/h5-8,11-12H,2-4,9-10H2,1H3
InChIKey VIDZDCYSMDTNLQ-UHFFFAOYSA-N
Mol Weight 358.82 g/mol
Molecular Formula C20H19ClO4
Exact Mass 358.097187 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cqmBU3xBob
Name 2-Chloro-7-(3-acetoxypropoxy)-10,11-dihydro-dibenzo[a,d]-cyclohepten-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19ClO4
InChI InChI=1S/C20H19ClO4/c1-13(22)24-9-2-10-25-17-7-5-14-3-4-15-11-16(21)6-8-18(15)20(23)19(14)12-17/h5-8,11-12H,2-4,9-10H2,1H3
InChIKey VIDZDCYSMDTNLQ-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 6890-5973
Ionization Type EI
Literature Reference DOI 10.1021/jm300327h
Molecular Weight 358.821 g/mol
SMILES C1c2c(C(c3c(C1)cc(cc3)Cl)=O)cc(cc2)OCCCOC(C)=O
SPLASH splash10-0udi-0900000000-db42b8d7d0c942bef851
Source of Spectrum AF-55-SM11-10b
Wiley ID 1852008