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Morphinan-4-ol-6-one, 1-bromo-3-methoxy-

View entire compound with spectra: 1 NMR

Morphinan-4-ol-6-one, 1-bromo-3-methoxy-
SpectraBase Compound ID LcdL4QpTujD
InChI InChI=1S/C17H20BrNO3/c1-22-14-7-12(18)10-6-13-11-3-2-9(20)8-17(11,4-5-19-13)15(10)16(14)21/h7,11,13,19,21H,2-6,8H2,1H3/t11?,13-,17+/m1/s1
InChIKey YHPYQDQTYPQSHR-ATPFNZDESA-N
Mol Weight 366.26 g/mol
Molecular Formula C17H20BrNO3
Exact Mass 365.062657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BoMT69MBe5u
Name Morphinan-4-ol-6-one, 1-bromo-3-methoxy-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.062656505 u
Formula C17H20BrNO3
InChI InChI=1S/C17H20BrNO3/c1-22-14-7-12(18)10-6-13-11-3-2-9(20)8-17(11,4-5-19-13)15(10)16(14)21/h7,11,13,19,21H,2-6,8H2,1H3/t11?,13-,17+/m1/s1
InChIKey YHPYQDQTYPQSHR-ATPFNZDESA-N
Molecular Weight 366.255 g/mol
SMILES C1(=C(C=C(C2=C1[C@]13C([C@@](C2)(NCC3)[H])CCC(C1)=O)Br)OC)O