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2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(3-hydroxyphenyl)-3-methyl-, (S)-
SpectraBase Compound ID ACnSkvUMJCK
InChI InChI=1S/C16H13ClN2O2/c1-9-16(21)19-14-6-5-11(17)8-13(14)15(18-9)10-3-2-4-12(20)7-10/h2-9,20H,1H3,(H,19,21)/t9-/m0/s1
InChIKey HWSBTRWJGUXUDR-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 Lra89jAgUkb
Name 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(3-hydroxyphenyl)-3-methyl-, (S)-
CAS Registry Number 62492-73-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13ClN2O2
InChI InChI=1S/C16H13ClN2O2/c1-9-16(21)19-14-6-5-11(17)8-13(14)15(18-9)10-3-2-4-12(20)7-10/h2-9,20H,1H3,(H,19,21)/t9-/m0/s1
InChIKey HWSBTRWJGUXUDR-VIFPVBQESA-N
Molecular Weight 300.745 g/mol
SMILES N1c2c(C(c3cc(ccc3)O)=N[C@](C1=O)(C)[H])cc(cc2)Cl
SPLASH splash10-0pb9-1294000000-d11fad863987f2283d09
Source of Spectrum H-60-271-2
Synonyms (3S)-7-chloro-5-(3'-hydroxyphenyl)-3-methyl-2H-1,3-dihydro-1,4-benzodiozepin-2-one (3S)-7-chloro-5-(3-hydroxyphenyl)-3-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Wiley ID 1302728