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2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-methyl-5-phenyl-, monohydroxy deriv., (S)-
SpectraBase Compound ID C2yhANgvdFj
InChI InChI=1S/C16H13ClN2O2/c1-9-16(21)19-14-7-4-11(17)8-13(14)15(18-9)10-2-5-12(20)6-3-10/h2-9,18,20H,1H3/t9-/m0/s1
InChIKey PCEXELIJWKIBSI-VIFPVBQESA-N
Mol Weight 300.74 g/mol
Molecular Formula C16H13ClN2O2
Exact Mass 300.066555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BlrQn4fLGvO
Name 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-methyl-5-phenyl-, monohydroxy deriv., (S)-
CAS Registry Number 52871-95-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13ClN2O2
InChI InChI=1S/C16H13ClN2O2/c1-9-16(21)19-14-7-4-11(17)8-13(14)15(18-9)10-2-5-12(20)6-3-10/h2-9,18,20H,1H3/t9-/m0/s1
InChIKey PCEXELIJWKIBSI-VIFPVBQESA-N
Molecular Weight 300.745 g/mol
SMILES N1[C@](C(N=C2C(=C1c1ccc(cc1)O)C=C(C=C2)Cl)=O)(C)[H]
SPLASH splash10-0a4i-0192000000-8366e8edb214e47b2dab
Source of Spectrum KO-2-99-4
Synonyms (3S)-7-chloro-5-(4-hydroxyphenyl)-3-methyl-3,4-dihydro-2H-1,4-benzodiazepin-2-one 3.alpha.-methyl-5-hydroxyphenyl-7-chloro-1,4-benzodiazepin-2-one Enzymic hydroxylation of (S)-1,3-me2-5-ph-7-cl-1,4-benzodiazepine-2-one
Wiley ID 1302725