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N-[(3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-7-yl]acetamide
SpectraBase Compound ID 4qGO7nZEIxZ
InChI InChI=1S/C13H17N3O5/c1-6(17)15-8-5-10-7(4-9(8)16(19)20)11(14)12(18)13(2,3)21-10/h4-5,11-12,18H,14H2,1-3H3,(H,15,17)/t11-,12+/m0/s1
InChIKey XSAJUVITCITARX-NWDGAFQWSA-N
Mol Weight 295.29 g/mol
Molecular Formula C13H17N3O5
Exact Mass 295.116821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9z2uuVUxMg8
Name N-[(3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-7-yl]acetamide
Alternate Name(s) N-[(3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydrochromen-7-yl]acetamide N-[(3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-6-nitro-chroman-7-yl]acetamide N-[(3R,4S)-4-azanyl-2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-7-yl]ethanamide
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Formula C13H17N3O5
InChI InChI=1S/C13H17N3O5/c1-6(17)15-8-5-10-7(4-9(8)16(19)20)11(14)12(18)13(2,3)21-10/h4-5,11-12,18H,14H2,1-3H3,(H,15,17)/t11-,12+/m0/s1
InChIKey XSAJUVITCITARX-NWDGAFQWSA-N
Molecular Weight 295.295 g/mol
SMILES O[C@]1(C(Oc2cc(c(cc2[C@@]1(N)[H])N(=O)=O)NC(=O)C)(C)C)[H]
SPLASH splash10-00e9-3950000000-bcb9d43476471cade252
Source of Spectrum O-20-441-7
Wiley ID 1298008