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(2S,3R,6S)-N-(2,4-dinitrophenyl)-2-methoxy-6-[(N-methyl-2,4-dinitro-anilino)methyl]tetrahydropyran-3-amine
SpectraBase Compound ID 6vPcwVRDyGs
InChI InChI=1S/C20H22N6O10/c1-22(17-8-4-13(24(29)30)10-19(17)26(33)34)11-14-5-7-16(20(35-2)36-14)21-15-6-3-12(23(27)28)9-18(15)25(31)32/h3-4,6,8-10,14,16,20-21H,5,7,11H2,1-2H3/t14-,16+,20-/m0/s1
InChIKey VMVYHFRROMAAID-NBQZKYEYSA-N
Mol Weight 506.43 g/mol
Molecular Formula C20H22N6O10
Exact Mass 506.139741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3868gh8vsF0
Name (2S,3R,6S)-N-(2,4-dinitrophenyl)-2-methoxy-6-[(N-methyl-2,4-dinitro-anilino)methyl]tetrahydropyran-3-amine
Alternate Name(s) (2S,3R,6S)-N-(2,4-dinitrophenyl)-2-methoxy-6-[(N-methyl-2,4-dinitroanilino)methyl]-3-oxanamine (2S,3R,6S)-N-(2,4-dinitrophenyl)-2-methoxy-6-[(N-methyl-2,4-dinitroanilino)methyl]oxan-3-amine (2S,3R,6S)-N-(2,4-dinitrophenyl)-6-[[(2,4-dinitrophenyl)-methyl-amino]methyl]-2-methoxy-oxan-3-amine [(2S,5R,6S)-5-(2,4-dinitroanilino)-6-methoxy-tetrahydropyran-2-yl]methyl-(2,4-dinitrophenyl)-methyl-amine
Comments Less than 3 mono-isotopic peaks
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Formula C20H22N6O10
InChI InChI=1S/C20H22N6O10/c1-22(17-8-4-13(24(29)30)10-19(17)26(33)34)11-14-5-7-16(20(35-2)36-14)21-15-6-3-12(23(27)28)9-18(15)25(31)32/h3-4,6,8-10,14,16,20-21H,5,7,11H2,1-2H3/t14-,16+,20-/m0/s1
InChIKey VMVYHFRROMAAID-NBQZKYEYSA-N
Molecular Weight 506.428 g/mol
SMILES N(c1c(N(=O)=O)cc(N(=O)=O)cc1)[C@@]1(CC[C@](O[C@@]1(OC)[H])(CN(c1c(N(=O)=O)cc(N(=O)=O)cc1)C)[H])[H]
SPLASH splash10-0a6r-0000790000-b2f25b712feb8083bc48
Source of Spectrum KC-0-2695-6
Wiley ID 782290