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5,10-Etheno-1H-[1,2,4]triazolo[1,2-a][1,2]diazocine-1,3(2H)-dione, 7-azido-4,5,6,7,10,11-hexahydro-2-phenyl-
SpectraBase Compound ID HCGpYu0wDsc
InChI InChI=1S/C16H14N6O2/c17-19-18-11-6-7-13-8-9-14(10-11)22-16(24)20(15(23)21(13)22)12-4-2-1-3-5-12/h1-9,11,13-14H,10H2/b7-6-/t11?,13-,14-/m0/s1
InChIKey KPZUQHREHHLKGD-RLSNLPONSA-N
Mol Weight 322.33 g/mol
Molecular Formula C16H14N6O2
Exact Mass 322.117824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FplbGrZ6qoM
Name 5,10-Etheno-1H-[1,2,4]triazolo[1,2-a][1,2]diazocine-1,3(2H)-dione, 7-azido-4,5,6,7,10,11-hexahydro-2-phenyl-
CAS Registry Number 99140-99-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N6O2
InChI InChI=1S/C16H14N6O2/c17-19-18-11-6-7-13-8-9-14(10-11)22-16(24)20(15(23)21(13)22)12-4-2-1-3-5-12/h1-9,11,13-14H,10H2/b7-6-/t11?,13-,14-/m0/s1
InChIKey KPZUQHREHHLKGD-RLSNLPONSA-N
Molecular Weight 322.328 g/mol
SMILES c1ccc(cc1)N1C(N2[C@@]3(CC(\C=C/[C@@](C=C3)(N2C1=O)[H])N=[N+]=[N-])[H])=O
SPLASH splash10-00kf-8923000000-68e793759aaf44b9a250
Source of Spectrum K-118-3374-3
Wiley ID 1321488