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Methyl 4-(2-phenyl-3H-1,3,4-benzotriazepin-5-yl)phenyl ether
SpectraBase Compound ID JQrn1AuHxuC
InChI InChI=1S/C21H17N3O/c1-25-17-13-11-15(12-14-17)20-18-9-5-6-10-19(18)22-21(24-23-20)16-7-3-2-4-8-16/h2-14H,1H3,(H,22,24)
InChIKey PYNNYOQJFUANST-UHFFFAOYSA-N
Mol Weight 327.39 g/mol
Molecular Formula C21H17N3O
Exact Mass 327.137162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qOStNJXqf2
Name Methyl 4-(2-phenyl-3H-1,3,4-benzotriazepin-5-yl)phenyl ether
Alternate Name(s) 3H-Benzo[e]1,2,4-triazepine, 5-(4-methoxyphenyl)-2-phenyl-
CAS Registry Number 300398-80-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N3O
InChI InChI=1S/C21H17N3O/c1-25-17-13-11-15(12-14-17)20-18-9-5-6-10-19(18)22-21(24-23-20)16-7-3-2-4-8-16/h2-14H,1H3,(H,22,24)
InChIKey PYNNYOQJFUANST-UHFFFAOYSA-N
Molecular Weight 327.387 g/mol
SMILES N1N=C(c2c(N=C1c1ccccc1)cccc2)c1ccc(cc1)OC
SPLASH splash10-004i-6947000000-fffb79fa39a6f9223685
Source of Spectrum AD-0-2532-0
Wiley ID 1424985