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L-4-azido-4-deoxy-1,2-O-isopropyliden-chiro-inositol
SpectraBase Compound ID EHPAO7W2FRu
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-IXEAHQSFSA-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 Asmj7ueyIlO
Name L-4-azido-4-deoxy-1,2-O-isopropyliden-chiro-inositol
Appearance White solid
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-IXEAHQSFSA-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)D21.5 = ?122 (c = 1.27, MeOH)
Reported Formula C9H15N3O5
SMILES O[C@]1([C@@]([C@]([C@@]2(OC(O[C@@]2([C@]1(O)[H])[H])(C)C)[H])(O)[H])(N=[N+]=[N-])[H])[H]
SPLASH splash10-0089-9170000000-c1fdda3aa8a5c03ce7b2
Source of Spectrum U1-2019-798-18
Wiley ID 1843688