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2-HYDROXY-2,3,3-TRIMETHYL-CYCLOPENTYLMETHYL-PARA-NITRO-BENZOATE
SpectraBase Compound ID 3tD8XzlXv3X
InChI InChI=1S/C16H21NO5/c1-15(2)9-8-12(16(15,3)19)10-22-14(18)11-4-6-13(7-5-11)17(20)21/h4-7,12,19H,8-10H2,1-3H3/t12-,16+/m0/s1
InChIKey XHDFWPJDMCPCIM-BLLLJJGKSA-N
Mol Weight 307.35 g/mol
Molecular Formula C16H21NO5
Exact Mass 307.141973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GjSKLOL628
Name 2-HYDROXY-2,3,3-TRIMETHYL-CYCLOPENTYLMETHYL-PARA-NITRO-BENZOATE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H21NO5
InChI InChI=1S/C16H21NO5/c1-15(2)9-8-12(16(15,3)19)10-22-14(18)11-4-6-13(7-5-11)17(20)21/h4-7,12,19H,8-10H2,1-3H3/t12-,16+/m0/s1
InChIKey XHDFWPJDMCPCIM-BLLLJJGKSA-N
Literature Reference Author T.K.HUTTON,K.MUIR,D.J.PROCTER
Literature Reference Citation ORG.LETTERS,4,2345(2002)
Literature Reference DOI 10.1021/ol0260472
Molecular Weight 307.346 g/mol
Solvent CDCl3
Source File Reference UWMZ25322