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2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(4-hydroxyphenyl)-3-methyl-, (S)-
SpectraBase Compound ID KekaamsKlUp
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/h2-9,20H,1H3,(H,19,21)/t9-/m0/s1
InChIKey NXSLHJMWHXPBRJ-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 ACyCKeCVgnR
Name 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(4-hydroxyphenyl)-3-methyl-, (S)-
CAS Registry Number 62492-75-5
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/h2-9,20H,1H3,(H,19,21)/t9-/m0/s1
InChIKey NXSLHJMWHXPBRJ-VIFPVBQESA-N
Molecular Weight 300.745 g/mol
SMILES N1c2c(C(c3ccc(cc3)O)=N[C@](C1=O)(C)[H])cc(cc2)Cl
SPLASH splash10-0pb9-3493000000-2af18715b886dde9c7e5
Source of Spectrum H-60-272-3
Synonyms (3S)-7-chloro-5-(4'-hydroxyphenyl)-3-methyl-2H-1,3-dihydro-1,4-benzodiazepin-2-one (3S)-7-chloro-5-(4-hydroxyphenyl)-3-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Wiley ID 1302729