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N-[(3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydro-2H-1-benzopyran-6-yl]acetamide
SpectraBase Compound ID K3VKHWzJS6L
InChI InChI=1S/C13H17N3O5/c1-6(17)15-8-4-7-10(5-9(8)16(19)20)21-13(2,3)12(18)11(7)14/h4-5,11-12,18H,14H2,1-3H3,(H,15,17)/t11-,12+/m0/s1
InChIKey QLPHISCMYZFITN-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 B2XFI2iQjyK
Name N-[(3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydro-2H-1-benzopyran-6-yl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3O5
InChI InChI=1S/C13H17N3O5/c1-6(17)15-8-4-7-10(5-9(8)16(19)20)21-13(2,3)12(18)11(7)14/h4-5,11-12,18H,14H2,1-3H3,(H,15,17)/t11-,12+/m0/s1
InChIKey QLPHISCMYZFITN-NWDGAFQWSA-N
Molecular Weight 295.295 g/mol
SMILES O[C@@]1([C@](c2c(cc(c(c2)NC(=O)C)N(=O)=O)OC1(C)C)(N)[H])[H]
SPLASH splash10-0089-5950000000-d7979d86672164c50fab
Source of Spectrum O-20-441-8
Synonyms N-[(3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-7-nitro-3,4-dihydrochromen-6-yl]acetamide N-[(3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-7-nitro-chroman-6-yl]acetamide N-[(3R,4S)-4-azanyl-2,2-dimethyl-7-nitro-3-oxidanyl-3,4-dihydrochromen-6-yl]ethanamide
Wiley ID 1298009