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9-Hydroxy-2-phenyl-1,5,9-triazacyclotridecan-4-one
SpectraBase Compound ID 5hMbOMRFrnx
InChI InChI=1S/C16H25N3O2/c20-16-13-15(14-7-2-1-3-8-14)17-10-6-12-19(21)11-5-4-9-18-16/h1-3,7-8,15,17,21H,4-6,9-13H2,(H,18,20)/t15-/m0/s1
InChIKey JCWJVQCCLKFUON-HNNXBMFYSA-N
Mol Weight 291.39 g/mol
Molecular Formula C16H25N3O2
Exact Mass 291.194677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3sM2q6NK1SG
Name 9-Hydroxy-2-phenyl-1,5,9-triazacyclotridecan-4-one
Alternate Name(s) (S)-9-Hydroxy-2-phenyl-1,5,9-triazacyclotridecan-4-one 9-Oxidanyl-2-phenyl-1,5,9-triazacyclotridecan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25N3O2
InChI InChI=1S/C16H25N3O2/c20-16-13-15(14-7-2-1-3-8-14)17-10-6-12-19(21)11-5-4-9-18-16/h1-3,7-8,15,17,21H,4-6,9-13H2,(H,18,20)/t15-/m0/s1
InChIKey JCWJVQCCLKFUON-HNNXBMFYSA-N
Molecular Weight 291.395 g/mol
SMILES N1CCCCN(CCCN[C@@](CC1=O)(c1ccccc1)[H])O
SPLASH splash10-01vo-6690000000-7d06191e33488576876e
Source of Spectrum H-79-1092-11
Wiley ID 1294605