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8-Chloro-5-oxo-10,11-dihydro-5H-dibenzo[a,d]cycloheptene-3-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
SpectraBase Compound ID EbFlvmT3Wkm
InChI InChI=1S/C22H23ClN2O3/c23-18-5-6-19-16(13-18)3-1-15-2-4-17(14-20(15)21(19)26)22(27)24-7-8-25-9-11-28-12-10-25/h2,4-6,13-14H,1,3,7-12H2,(H,24,27)
InChIKey BARSEVATJIGQFI-UHFFFAOYSA-N
Mol Weight 398.89 g/mol
Molecular Formula C22H23ClN2O3
Exact Mass 398.13972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kpvn8wggpvB
Name 8-Chloro-5-oxo-10,11-dihydro-5H-dibenzo[a,d]cycloheptene-3-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23ClN2O3
InChI InChI=1S/C22H23ClN2O3/c23-18-5-6-19-16(13-18)3-1-15-2-4-17(14-20(15)21(19)26)22(27)24-7-8-25-9-11-28-12-10-25/h2,4-6,13-14H,1,3,7-12H2,(H,24,27)
InChIKey BARSEVATJIGQFI-UHFFFAOYSA-N
Instrument Name HP 6890-5973
Ionization Type EI
Literature Reference DOI 10.1021/jm301539x
Molecular Weight 398.890 g/mol
SMILES N(C(c1cc2c(CCc3c(C2=O)ccc(c3)Cl)cc1)=O)CCN1CCOCC1
SPLASH splash10-0udi-0900000000-97f8c4fcd7641bbc7430
Source of Spectrum AF-56-SM18-10b
Wiley ID 1854396