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17-(Methoxyimino)estra-1,3,5(10)-trien-3-yl acetate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

17-(Methoxyimino)estra-1,3,5(10)-trien-3-yl acetate
SpectraBase Compound ID 87AU0Xc6wmr
InChI InChI=1S/C21H27NO3/c1-13(23)25-15-5-7-16-14(12-15)4-6-18-17(16)10-11-21(2)19(18)8-9-20(21)22-24-3/h5,7,12,17-19H,4,6,8-11H2,1-3H3/b22-20+
InChIKey IJXGKDBOMBKXPH-LSDHQDQOSA-N
Mol Weight 341.45 g/mol
Molecular Formula C21H27NO3
Exact Mass 341.199094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FqBo5w0zBSH
Name 17-(Methoxyimino)estra-1,3,5(10)-trien-3-yl acetate
Comments Computed using HOSE algorithm
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Exact Mass 341.199093730 u
Formula C21H27NO3
InChI InChI=1S/C21H27NO3/c1-13(23)25-15-5-7-16-14(12-15)4-6-18-17(16)10-11-21(2)19(18)8-9-20(21)22-24-3/h5,7,12,17-19H,4,6,8-11H2,1-3H3/b22-20+
InChIKey IJXGKDBOMBKXPH-LSDHQDQOSA-N
Molecular Weight 341.451 g/mol
SMILES C12=C(C=CC(=C2)OC(C)=O)C2C(CC1)C1C(CC2)(\C(CC1)=N\OC)C