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5,9-Etheno-6,7,8-metheno-1H,5H-[1,2,4]triazolo[1,2-a][1,2]diazepine-1,3(2H)-dione, 6,7,8,9-tetrahydro-2-phenyl-
SpectraBase Compound ID HP3Wk0lB2vS
InChI InChI=1S/C16H13N3O2/c20-15-17(8-4-2-1-3-5-8)16(21)19-10-7-6-9(18(15)19)11-13-12(10)14(11)13/h1-7,9-14H
InChIKey DZXHIGPOAYJICN-UHFFFAOYSA-N
Mol Weight 279.3 g/mol
Molecular Formula C16H13N3O2
Exact Mass 279.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EoCmODfup0T
Name 5,9-Etheno-6,7,8-metheno-1H,5H-[1,2,4]triazolo[1,2-a][1,2]diazepine-1,3(2H)-dione, 6,7,8,9-tetrahydro-2-phenyl-
Alternate Name(s) 4-Phenyl-2,4,6-triazapentacyclo[5.4.2.0(2,6).0(8,10).0(9,11)]tridec-12-ene-3,5-dione
CAS Registry Number 90144-96-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3O2
InChI InChI=1S/C16H13N3O2/c20-15-17(8-4-2-1-3-5-8)16(21)19-10-7-6-9(18(15)19)11-13-12(10)14(11)13/h1-7,9-14H
InChIKey DZXHIGPOAYJICN-UHFFFAOYSA-N
Molecular Weight 279.299 g/mol
SMILES C1(N2N(C(N1c1ccccc1)=O)C1C3C4C(C2C=C1)C34)=O
SPLASH splash10-0fur-9300000000-8e397bca1998e5f10f63
Source of Spectrum K-117-963-0
Wiley ID 1283004