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Diethyl 7-hydroxy-2-methyl-9-nitro-3-oxo-2,4-diazabicyclo[3.3.1]non-7-ene-6,8-dicarboxylate
SpectraBase Compound ID 8QzEKLgYBOp
InChI InChI=1S/C14H19N3O8/c1-4-24-12(19)6-8-10(17(22)23)9(16(3)14(21)15-8)7(11(6)18)13(20)25-5-2/h6,8-10,18H,4-5H2,1-3H3,(H,15,21)/t6?,8-,9+,10-/m1/s1
InChIKey WWBQLLOAYCEHDM-HJMCRLAHSA-N
Mol Weight 357.32 g/mol
Molecular Formula C14H19N3O8
Exact Mass 357.117215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BTAPKmJD5Mf
Name Diethyl 7-hydroxy-2-methyl-9-nitro-3-oxo-2,4-diazabicyclo[3.3.1]non-7-ene-6,8-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19N3O8
InChI InChI=1S/C14H19N3O8/c1-4-24-12(19)6-8-10(17(22)23)9(16(3)14(21)15-8)7(11(6)18)13(20)25-5-2/h6,8-10,18H,4-5H2,1-3H3,(H,15,21)/t6?,8-,9+,10-/m1/s1
InChIKey WWBQLLOAYCEHDM-HJMCRLAHSA-N
Molecular Weight 357.319 g/mol
SMILES OC=1C([C@@]2([C@]([C@](C1C(=O)OCC)(N(C(=O)N2)C)[H])(N(=O)=O)[H])[H])C(=O)OCC
SPLASH splash10-0a4i-4903000000-3560fe87bb9f1e770386
Source of Spectrum SO-0-1280-7
Synonyms Diethyl 7-hydroxy-4-methyl-9-nitro-3-oxo-2,4-diazabicyclo[3.3.1]non-6-ene-6,8-dicarboxylate
Wiley ID 874876