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Methyl 3-(methyl-3-O-methyl-.alpha.,D-xylo-tetro-1,4-furanos-4-yl)-1-p-nitrophenylpyrazol-5-carboxylate
SpectraBase Compound ID CreIovJxJfF
InChI InChI=1S/C17H19N3O8/c1-25-15-13(21)17(27-3)28-14(15)11-8-12(16(22)26-2)19(18-11)9-4-6-10(7-5-9)20(23)24/h4-8,13-15,17,21H,1-3H3/t13-,14-,15-,17+/m1/s1
InChIKey MGMASPFQCGADPZ-ANQUJSFKSA-N
Mol Weight 393.35 g/mol
Molecular Formula C17H19N3O8
Exact Mass 393.117215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwynQxhhBpn
Name Methyl 3-(methyl-3-O-methyl-.alpha.,D-xylo-tetro-1,4-furanos-4-yl)-1-p-nitrophenylpyrazol-5-carboxylate
Alternate Name(s) 5-((2R,5S)-4-Hydroxy-3,5-dimethoxy-tetrahydro-furan-2-yl)-2-(4-nitro-phenyl)-2H-pyrazole-3-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19N3O8
InChI InChI=1S/C17H19N3O8/c1-25-15-13(21)17(27-3)28-14(15)11-8-12(16(22)26-2)19(18-11)9-4-6-10(7-5-9)20(23)24/h4-8,13-15,17,21H,1-3H3/t13-,14-,15-,17+/m1/s1
InChIKey MGMASPFQCGADPZ-ANQUJSFKSA-N
Molecular Weight 393.352 g/mol
SMILES O[C@@]1([C@]([C@@](c2cc([n](n2)-c2ccc(N(=O)=O)cc2)C(=O)OC)(O[C@@]1(OC)[H])[H])(OC)[H])[H]
SPLASH splash10-0f79-9532000000-11b8560d51190faf43db
Source of Spectrum H1-36-843-7
Wiley ID 755211