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(S)-5-(3-chlorobenzyl)-11-hydroxy-5H-dibenzo[b,e]azepin-6(11H)-one
SpectraBase Compound ID 63Dtv1U99Si
InChI InChI=1S/C21H16ClNO2/c22-15-7-5-6-14(12-15)13-23-19-11-4-3-10-18(19)20(24)16-8-1-2-9-17(16)21(23)25/h1-12,20,24H,13H2/t20-/m0/s1
InChIKey NQLGIDLBRJBMKZ-FQEVSTJZSA-N
Mol Weight 349.82 g/mol
Molecular Formula C21H16ClNO2
Exact Mass 349.086956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4dR3yaGlNo
Name (S)-5-(3-chlorobenzyl)-11-hydroxy-5H-dibenzo[b,e]azepin-6(11H)-one
Alternate Name(s) (S)-5-(3-chlorobenzyl)-11-hydroxy-5,11-dihydro-6H-dibenzo[b,e]azepin-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16ClNO2
InChI InChI=1S/C21H16ClNO2/c22-15-7-5-6-14(12-15)13-23-19-11-4-3-10-18(19)20(24)16-8-1-2-9-17(16)21(23)25/h1-12,20,24H,13H2/t20-/m0/s1
InChIKey NQLGIDLBRJBMKZ-FQEVSTJZSA-N
Literature Reference DOI 10.1039/C6QO00036C
Molecular Weight 349.817 g/mol
SMILES O[C@@]1(c2c(N(C(c3c1cccc3)=O)Cc1cc(ccc1)Cl)cccc2)[H]
SPLASH splash10-0fdk-0149000000-a63c80599611e10b536b
Source of Spectrum OCF-3-614/SM19-8l
Wiley ID 1804842