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(1S, 2R, 5R, 6R)-6-Acetylamino-1,2-O-isopropylidene-3-methylcyclohex-3-ene, 1,2,5-triol
SpectraBase Compound ID BGJfVaz0iwB
InChI InChI=1S/C12H19NO4/c1-6-5-8(15)9(13-7(2)14)11-10(6)16-12(3,4)17-11/h5,8-11,15H,1-4H3,(H,13,14)/t8-,9-,10-,11+/m1/s1
InChIKey MJDRGXBVWSSTDS-DBIOUOCHSA-N
Mol Weight 241.29 g/mol
Molecular Formula C12H19NO4
Exact Mass 241.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KozKRugb7dK
Name (1S, 2R, 5R, 6R)-6-Acetylamino-1,2-O-isopropylidene-3-methylcyclohex-3-ene, 1,2,5-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO4
InChI InChI=1S/C12H19NO4/c1-6-5-8(15)9(13-7(2)14)11-10(6)16-12(3,4)17-11/h5,8-11,15H,1-4H3,(H,13,14)/t8-,9-,10-,11+/m1/s1
InChIKey MJDRGXBVWSSTDS-DBIOUOCHSA-N
Molecular Weight 241.287 g/mol
SMILES O[C@@]1(C=C([C@@]2([C@]([C@@]1(NC(=O)C)[H])(OC(O2)(C)C)[H])[H])C)[H]
SPLASH splash10-000x-9500000000-afe8bf925f280c098248
Source of Spectrum F-66-3767-33
Wiley ID 1685410