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3-((3-NITROPHENYL)-CARBAMOYL)-7-OXABICYCLO-[2.2.1]-HEPTANE-2-CARBOXYLIC-ACID
SpectraBase Compound ID GlD1271aJHG
InChI InChI=1S/C14H14N2O6/c17-13(15-7-2-1-3-8(6-7)16(20)21)11-9-4-5-10(22-9)12(11)14(18)19/h1-3,6,9-12H,4-5H2,(H,15,17)(H,18,19)/t9-,10+,11-,12+/m1/s1
InChIKey XKYMLIHTYFRTSE-KXNHARMFSA-N
Mol Weight 306.27 g/mol
Molecular Formula C14H14N2O6
Exact Mass 306.085186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5LXTC3NwqwV
Name 3-((3-NITROPHENYL)-CARBAMOYL)-7-OXABICYCLO-[2.2.1]-HEPTANE-2-CARBOXYLIC-ACID
Compound Number II-24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H14N2O6
InChI InChI=1S/C14H14N2O6/c17-13(15-7-2-1-3-8(6-7)16(20)21)11-9-4-5-10(22-9)12(11)14(18)19/h1-3,6,9-12H,4-5H2,(H,15,17)(H,18,19)/t9-,10+,11-,12+/m1/s1
InChIKey XKYMLIHTYFRTSE-KXNHARMFSA-N
Literature Reference Author Y.WANG,W.SUN,S.ZHA,H.WANG,Y.ZHANG
Literature Reference Citation MOLECULES,20,21464(2015)
Literature Reference DOI 10.3390/molecules201219782
Molecular Weight 306.275 g/mol
Solvent DMSO-D6
Source File Reference UWPA7053