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2-Methoxyesterone
SpectraBase Compound ID 1b2KYumuD3c
InChI InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3
InChIKey WHEUWNKSCXYKBU-UHFFFAOYSA-N
Mol Weight 300.4 g/mol
Molecular Formula C19H24O3
Exact Mass 300.172545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hgpvyz7rAAy
Name 2-Methoxyesterone
Comments Computed using HOSE algorithm
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Exact Mass 300.172544630 u
Formula C19H24O3
InChI InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3
InChIKey WHEUWNKSCXYKBU-UHFFFAOYSA-N
SMILES OC=1C(=CC=2[C@]3(CC[C@]4(C)C(CC[C@]4([C@@]3(CCC2C1)[H])[H])=O)[H])OC