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(2S,3S,6S)-6-Azido-2,3-isopropylidenedioxycyclohexanone
SpectraBase Compound ID 3D52VLWmA3Z
InChI InChI=1S/C9H13N3O3/c1-9(2)14-6-4-3-5(11-12-10)7(13)8(6)15-9/h5-6,8H,3-4H2,1-2H3/t5-,6-,8-/m0/s1
InChIKey QBLMHEYZOSEDMC-HAFWLYHUSA-N
Mol Weight 211.22 g/mol
Molecular Formula C9H13N3O3
Exact Mass 211.095691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ghtxywxrc4D
Name (2S,3S,6S)-6-Azido-2,3-isopropylidenedioxycyclohexanone
Alternate Name(s) (3aS,5S,7aS)-5-azido-2,2-dimethyltetrahydro-1,3-benzodioxol-4(3aH)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13N3O3
InChI InChI=1S/C9H13N3O3/c1-9(2)14-6-4-3-5(11-12-10)7(13)8(6)15-9/h5-6,8H,3-4H2,1-2H3/t5-,6-,8-/m0/s1
InChIKey QBLMHEYZOSEDMC-HAFWLYHUSA-N
Molecular Weight 211.221 g/mol
SMILES [C@]12(C([C@@](N=[N+]=[N-])(CC[C@@]1(OC(O2)(C)C)[H])[H])=O)[H]
SPLASH splash10-0a4j-9110000000-f64ce284b90afaeaf8b1
Source of Spectrum KD-16-1398-3
Wiley ID 1637648