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5,9-Etheno-7,6,8-[1]propanyl[3]ylidene-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 EYKlDchqk7f
InChI InChI=1S/C18H17N3O2/c22-17-19(10-4-2-1-3-5-10)18(23)21-14-9-8-13(20(17)21)15-11-6-7-12(15)16(11)14/h1-5,8-9,11-16H,6-7H2/t11-,12+,13-,14-,15-,16+/m0/s1
InChIKey HCJAQBXDPLTTCC-PLZKBRGSSA-N
Mol Weight 307.35 g/mol
Molecular Formula C18H17N3O2
Exact Mass 307.132077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Rx192wcbGq
Name 5,9-Etheno-7,6,8-[1]propanyl[3]ylidene-1H,5H-[1,2,4]triazolo[1,2-a][1,2]diazepine-1,3(2H)-dione, 6,7,8,9-tetrahydro-2-phenyl-
CAS Registry Number 110307-27-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N3O2
InChI InChI=1S/C18H17N3O2/c22-17-19(10-4-2-1-3-5-10)18(23)21-14-9-8-13(20(17)21)15-11-6-7-12(15)16(11)14/h1-5,8-9,11-16H,6-7H2/t11-,12+,13-,14-,15-,16+/m0/s1
InChIKey HCJAQBXDPLTTCC-PLZKBRGSSA-N
Molecular Weight 307.353 g/mol
SMILES C1(N2N(C(N1c1ccccc1)=O)[C@@]1([C@@]3([C@@]4([C@]([C@@]2(C=C1)[H])([C@]3(CC4)[H])[H])[H])[H])[H])=O
SPLASH splash10-053r-0966000000-1deb243346974d1526d8
Source of Spectrum H-69-1885-25
Synonyms 11-Phenyl-9,11,13-triazapentacyclo[6.5.2.0(2,6).0(3,7).0(9,13)]pentadec-14-en-10,12-dion 11-phenyl-9,11,13-triazapentacyclo[6.5.2.0(2,6).0(3,7).0(9,13)]pentadec-14-ene-10,12-dione
Wiley ID 1309029