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1-PHENANTHRENECARBOXYLIC ACID, 1,2,3,4,4a,9,10,10a-OCTAHYDRO-1,4a,-DIMETHYL-7-(1-METHYLETHYL)-8-NITRO- METHYL ESTER,
SpectraBase Compound ID 43J9FUEdUsw
InChI InChI=1S/C21H29NO4/c1-13(2)14-7-9-16-15(18(14)22(24)25)8-10-17-20(16,3)11-6-12-21(17,4)19(23)26-5/h7,9,13,17H,6,8,10-12H2,1-5H3
InChIKey BMSNLFKXRWSZRA-UHFFFAOYSA-N
Mol Weight 359.47 g/mol
Molecular Formula C21H29NO4
Exact Mass 359.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7LyXQLVQNOe
Name 1-PHENANTHRENECARBOXYLIC ACID, 1,2,3,4,4a,9,10,10a-OCTAHYDRO-1,4a,-DIMETHYL-7-(1-METHYLETHYL)-8-NITRO- METHYL ESTER,
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Formula C21H29NO4
InChI InChI=1S/C21H29NO4/c1-13(2)14-7-9-16-15(18(14)22(24)25)8-10-17-20(16,3)11-6-12-21(17,4)19(23)26-5/h7,9,13,17H,6,8,10-12H2,1-5H3
InChIKey BMSNLFKXRWSZRA-UHFFFAOYSA-N
Instrument Name GE QE-300
NMR Standard TMS
Solvent CDCl3