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Estra-1,3,5(10)-trien-17-one, 3-methoxy-, oxime

View entire compound with spectra: 1 NMR

Estra-1,3,5(10)-trien-17-one, 3-methoxy-, oxime
SpectraBase Compound ID Fgcip1LsidN
InChI InChI=1S/C19H25NO2/c1-19-10-9-15-14-6-4-13(22-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20-21/h4,6,11,15-17,21H,3,5,7-10H2,1-2H3/b20-18+/t15-,16-,17+,19+/m1/s1
InChIKey UPFPBOLHKZHRQR-YDKWXADCSA-N
Mol Weight 299.41 g/mol
Molecular Formula C19H25NO2
Exact Mass 299.188529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CTSo6RIgXcw
Name Estra-1,3,5(10)-trien-17-one, 3-methoxy-, oxime
Comments Computed using HOSE algorithm
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Exact Mass 299.188529047 u
Formula C19H25NO2
InChI InChI=1S/C19H25NO2/c1-19-10-9-15-14-6-4-13(22-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20-21/h4,6,11,15-17,21H,3,5,7-10H2,1-2H3/b20-18+/t15-,16-,17+,19+/m1/s1
InChIKey UPFPBOLHKZHRQR-YDKWXADCSA-N
Molecular Weight 299.414 g/mol
SMILES C1=C(C=C2C(=C1)[C@]1(CC[C@]3([C@]([C@]1([H])CC2)(CC\C3=N\O)[H])C)[H])OC