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Cycloheptatriazole, 1,4,5,6,7,8-hexahydro-1-phenyl-
SpectraBase Compound ID ICWE00h3oHh
InChI InChI=1S/C13H15N3/c1-3-7-11(8-4-1)16-13-10-6-2-5-9-12(13)14-15-16/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey GPOBXZAXQQDEDQ-UHFFFAOYSA-N
Mol Weight 213.28 g/mol
Molecular Formula C13H15N3
Exact Mass 213.126597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7fg2Mb7gdko
Name Cycloheptatriazole, 1,4,5,6,7,8-hexahydro-1-phenyl-
Alternate Name(s) 1,4,5,6,7,8-Hexahydro-1-phenylcyclohepta[d]-1,2,3-triazol 1-Phenyl-1,4,5,6,7,8-hexahydrocyclohepta[d][1,2,3]triazole
CAS Registry Number 51074-94-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3
InChI InChI=1S/C13H15N3/c1-3-7-11(8-4-1)16-13-10-6-2-5-9-12(13)14-15-16/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey GPOBXZAXQQDEDQ-UHFFFAOYSA-N
Molecular Weight 213.284 g/mol
SMILES c12[n](nnc1CCCCC2)-c1ccccc1
SPLASH splash10-0fvi-7900000000-8d518abf417fede5e726
Source of Spectrum K-116-2305-0
Wiley ID 1212731