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5,10-Etheno-1H-[1,2,4]triazolo[1,2-a][1,2]diazocine-1,3(2H)-dione, 7-(acetyloxy)-5,6,7,10-tetrahydro-2-phenyl-
SpectraBase Compound ID 3HaioDXAgKC
InChI InChI=1S/C18H17N3O4/c1-12(22)25-16-10-9-14-7-8-15(11-16)21-18(24)19(17(23)20(14)21)13-5-3-2-4-6-13/h2-10,14-16H,11H2,1H3/b10-9-
InChIKey UYUSZHYTRXNVMP-KTKRTIGZSA-N
Mol Weight 339.35 g/mol
Molecular Formula C18H17N3O4
Exact Mass 339.121906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pybxtyb12o
Name 5,10-Etheno-1H-[1,2,4]triazolo[1,2-a][1,2]diazocine-1,3(2H)-dione, 7-(acetyloxy)-5,6,7,10-tetrahydro-2-phenyl-
Alternate Name(s) 3,5-Dioxo-4-phenyl-2,4,6-triazatricyclo[5.4.2.0(2,6)]trideca-10,12-dien-9-yl acetate 4-Acetoxy-N-phenyl-7,8-diazabicyclo[4.2.2]deca-2,9-diene-7,8-dicarboximide
CAS Registry Number 99141-00-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N3O4
InChI InChI=1S/C18H17N3O4/c1-12(22)25-16-10-9-14-7-8-15(11-16)21-18(24)19(17(23)20(14)21)13-5-3-2-4-6-13/h2-10,14-16H,11H2,1H3/b10-9-
InChIKey UYUSZHYTRXNVMP-KTKRTIGZSA-N
Molecular Weight 339.351 g/mol
SMILES C1(N(C(N2C3C=CC(N12)CC(\C=C/3)OC(=O)C)=O)c1ccccc1)=O
SPLASH splash10-0006-9302000000-4c7e9b5027773b776538
Source of Spectrum K-118-3375-4
Wiley ID 1334445