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2-Phenyl-1-aza-3,7-dioxatricyclo[3.3.00(6,8)]nonan-9-one
SpectraBase Compound ID 6vNMf6vAF25
InChI InChI=1S/C12H11NO3/c14-11-10-9(16-10)8-6-15-12(13(8)11)7-4-2-1-3-5-7/h1-5,8-10,12H,6H2/t8-,9-,10-,12-/m1/s1
InChIKey PYASDOHMJWBBLK-DNRKLUKYSA-N
Mol Weight 217.22 g/mol
Molecular Formula C12H11NO3
Exact Mass 217.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51AQMfxVAfF
Name 2-Phenyl-1-aza-3,7-dioxatricyclo[3.3.00(6,8)]nonan-9-one
Alternate Name(s) (1aR,1bR,4R,5aR)-4-Phenyl-tetrahydro-1,3-dioxa-4a-aza-cyclopropa[a]pentalen-5-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO3
InChI InChI=1S/C12H11NO3/c14-11-10-9(16-10)8-6-15-12(13(8)11)7-4-2-1-3-5-7/h1-5,8-10,12H,6H2/t8-,9-,10-,12-/m1/s1
InChIKey PYASDOHMJWBBLK-DNRKLUKYSA-N
Molecular Weight 217.224 g/mol
SMILES [C@@]12([C@@]([C@]3(CO[C@@](N3C2=O)(c2ccccc2)[H])[H])(O1)[H])[H]
SPLASH splash10-0a4i-0900000000-7f9535994d294c0aaf51
Source of Spectrum AT-35-122-9
Wiley ID 852758