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(+/-)-1,2,3,4,4a,9,10,10a beta-octahydro-2-oxo-4a beta-phenanthreneacetic acid, methyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

(+/-)-1,2,3,4,4a,9,10,10a beta-octahydro-2-oxo-4a beta-phenanthreneacetic acid, methyl ester
SpectraBase Compound ID 3ntZtXqyTpy
InChI InChI=1S/C17H20O3/c1-20-16(19)11-17-9-8-14(18)10-13(17)7-6-12-4-2-3-5-15(12)17/h2-5,13H,6-11H2,1H3/t13-,17-/m1/s1 InChI=1S/C17H20O3/c1-20-16(19)11-17-9-8-14(18)10-13(17)7-6-12-4-2-3-5-15(12)17/h2-5,13H,6-11H2,1H3/t13-,17-/m0/s1
InChIKey JJXFESUXAHVOTK-CXAGYDPISA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H0aMie4M6ZP
Name (+/-)-1,2,3,4,4a,9,10,10a beta-octahydro-2-oxo-4a beta-phenanthreneacetic acid, methyl ester
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Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-20-16(19)11-17-9-8-14(18)10-13(17)7-6-12-4-2-3-5-15(12)17/h2-5,13H,6-11H2,1H3/t13-,17-/m1/s1 InChI=1S/C17H20O3/c1-20-16(19)11-17-9-8-14(18)10-13(17)7-6-12-4-2-3-5-15(12)17/h2-5,13H,6-11H2,1H3/t13-,17-/m0/s1
InChIKey JJXFESUXAHVOTK-CXAGYDPISA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 38208M
Solvent CDCl3