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2-[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]phenol

View entire compound with spectra: 2 NMR

2-[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]phenol
SpectraBase Compound ID 6n49yXwMH2q
InChI InChI=1S/C22H18N2O/c1-15-10-12-16(13-11-15)20-14-21(17-6-2-5-9-22(17)25)24-19-8-4-3-7-18(19)23-20/h2-13,25H,14H2,1H3
InChIKey QRDHNXABVLJUCN-UHFFFAOYSA-N
Mol Weight 326.4 g/mol
Molecular Formula C22H18N2O
Exact Mass 326.141913 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BSh8R7anxlw
Name 2-[4-(4-Methylphenyl)-3H-1,5-benzodiazepin-2-yl]phenol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.141913207 u
Formula C22H18N2O
InChI InChI=1S/C22H18N2O/c1-15-10-12-16(13-11-15)20-14-21(17-6-2-5-9-22(17)25)24-19-8-4-3-7-18(19)23-20/h2-13,25H,14H2,1H3
InChIKey QRDHNXABVLJUCN-UHFFFAOYSA-N
Molecular Weight 326.399 g/mol
SMILES OC1=C(C2=NC3=C(C=CC=C3)N=C(C2)C=2C=CC(=CC2)C)C=CC=C1