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D-5-azido-5-deoxy-1,2-O-isopropyliden-myo-inositol
SpectraBase Compound ID CN4OsssxCV0
InChI InChI=1S/C9H15N3O5/c1-9(2)16-7-5(14)3(11-12-10)4(13)6(15)8(7)17-9/h3-8,13-15H,1-2H3/t3-,4-,5+,6+,7-,8+/m0/s1
InChIKey VHTVJRSHRVRKRF-RVVFJPCRSA-N
Mol Weight 245.23 g/mol
Molecular Formula C9H15N3O5
Exact Mass 245.101171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID a2yL9d7qra
Name D-5-azido-5-deoxy-1,2-O-isopropyliden-myo-inositol
Appearance Colourless syrup
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15N3O5
InChI InChI=1S/C9H15N3O5/c1-9(2)16-7-5(14)3(11-12-10)4(13)6(15)8(7)17-9/h3-8,13-15H,1-2H3/t3-,4-,5+,6+,7-,8+/m0/s1
InChIKey VHTVJRSHRVRKRF-RVVFJPCRSA-N
Instrument Name Shimadzu GC??MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801424
Molecular Weight 245.235 g/mol
Optical Rotation (a)D25.5 = ??52 (c = 1.54, MeOH)
Reported Formula C9H15N3O5
SMILES O[C@@]1([C@]([C@@]([C@]([C@@]2([C@]1(OC(O2)(C)C)[H])[H])(O)[H])(O)[H])(N=[N+]=[N-])[H])[H]
SPLASH splash10-0089-9050000000-e6bd327f7684397231b8
Source of Spectrum U1-2019-800-27
Wiley ID 1843697