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Cycloheptatriazole, 1,4,5,6-tetrahydro-1-phenyl-

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Cycloheptatriazole, 1,4,5,6-tetrahydro-1-phenyl-
SpectraBase Compound ID 7WHEPolWqmo
InChI InChI=1S/C13H13N3/c1-3-7-11(8-4-1)16-13-10-6-2-5-9-12(13)14-15-16/h1,3-4,6-8,10H,2,5,9H2
InChIKey NOTWVPBHPFECBM-UHFFFAOYSA-N
Mol Weight 211.27 g/mol
Molecular Formula C13H13N3
Exact Mass 211.110947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LW38W3R98vT
Name Cycloheptatriazole, 1,4,5,6-tetrahydro-1-phenyl-
CAS Registry Number 86661-71-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3
InChI InChI=1S/C13H13N3/c1-3-7-11(8-4-1)16-13-10-6-2-5-9-12(13)14-15-16/h1,3-4,6-8,10H,2,5,9H2
InChIKey NOTWVPBHPFECBM-UHFFFAOYSA-N
Molecular Weight 211.268 g/mol
SMILES c12[n](nnc1CCCC=C2)-c1ccccc1
SPLASH splash10-003r-7920000000-98797e000279b3cf12ad
Source of Spectrum K-116-2305-0
Synonyms 1,4,5,6-Tetrahydro-1-phenylcyclohepta[d]-1,2,3-triazol 1-Phenyl-1,4,5,6-tetrahydrocyclohepta[d][1,2,3]triazole
Wiley ID 1210536