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2S,5S-2-Azidomethyl-2-oxo-3-phenyl-1,3-diaza-2-phosphabicyclo[3.3.0]octane
SpectraBase Compound ID Jz39Gywjmau
InChI InChI=1S/C12H16N5OP/c13-15-14-10-19(18)16-8-4-7-12(16)9-17(19)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2/t12-,19-/m0/s1
InChIKey ROEQYBJDMHQHSW-BUXKBTBVSA-N
Mol Weight 277.27 g/mol
Molecular Formula C12H16N5OP
Exact Mass 277.109247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVDqQjslkCv
Name 2S,5S-2-Azidomethyl-2-oxo-3-phenyl-1,3-diaza-2-phosphabicyclo[3.3.0]octane
Alternate Name(s) (1S,3aS)-1-(azidomethyl)-2-phenylhexahydro-1H-pyrrolo[1,2-c][1,3,2]diazaphosphole 1-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N5OP
InChI InChI=1S/C12H16N5OP/c13-15-14-10-19(18)16-8-4-7-12(16)9-17(19)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2/t12-,19-/m0/s1
InChIKey ROEQYBJDMHQHSW-BUXKBTBVSA-N
Literature Reference DOI 10.1002/cjoc.200591671
Molecular Weight 277.268 g/mol
SMILES C1N([P@](N2CCC[C@@]12[H])(=O)CN=[N+]=[N-])c1ccccc1
SPLASH splash10-05fr-0390000000-a0589ce4bfc4f1a13af3
Source of Spectrum CJC-23-1673-4a
Wiley ID 1774153