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O-METHYLENE-NEOINOSAMINE-2;1L-4,5-O-METHYLENE-2-AMINO-2-DEOXY-NEO-INOSITOL
SpectraBase Compound ID Fw2hQCXwQYr
InChI InChI=1S/C7H13NO5/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h2-7,9-11H,1,8H2/t2-,3+,4-,5-,6+,7-/m1/s1
InChIKey KOPSWKYSWDQGDS-LXTYMGNCSA-N
Mol Weight 191.18 g/mol
Molecular Formula C7H13NO5
Exact Mass 191.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KMYJiHxMleY
Name L-2-amino-2-deoxy-4,5-O-methylen-neo-inositol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13NO5
InChI InChI=1S/C7H13NO5/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h2-7,9-11H,1,8H2/t2-,3+,4-,5-,6+,7-/m1/s1
InChIKey KOPSWKYSWDQGDS-LXTYMGNCSA-N
Instrument Name Shimadzu GC??MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801424
Molecular Weight 191.183 g/mol
Reported Formula C7H13NO5
SMILES O[C@]1([C@]([C@]([C@@]2(OCO[C@@]2([C@@]1(O)[H])[H])[H])(O)[H])(N)[H])[H]
SPLASH splash10-0079-9200000000-538c98ad7561d60f5df5
Source of Spectrum U1-2019-800-25
Wiley ID 1843695