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(5R)-5-(1-bromanyl-2-methoxy-propan-2-yl)-3-(2-methoxyphenyl)-2-methyl-cyclohex-2-en-1-one
SpectraBase Compound ID 713Nwzp0PRe
InChI InChI=1S/C18H23BrO3/c1-12-15(14-7-5-6-8-17(14)21-3)9-13(10-16(12)20)18(2,11-19)22-4/h5-8,13H,9-11H2,1-4H3/t13-,18?/m1/s1
InChIKey FRWLXLNYVKDVHP-YJJYDOSJSA-N
Mol Weight 367.28 g/mol
Molecular Formula C18H23BrO3
Exact Mass 366.083058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JWKvf0qHdY8
Name (5R)-5-(1-Bromanyl-2-methoxy-propan-2-yl)-3-(2-methoxyphenyl)-2-methyl-cyclohex-2-en-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.083057598 u
Formula C18H23BrO3
InChI InChI=1S/C18H23BrO3/c1-12-15(14-7-5-6-8-17(14)21-3)9-13(10-16(12)20)18(2,11-19)22-4/h5-8,13H,9-11H2,1-4H3/t13-,18?/m1/s1
InChIKey FRWLXLNYVKDVHP-YJJYDOSJSA-N
Molecular Weight 367.283 g/mol
SMILES C1(=C(C(=O)C[C@@](C1)(C(OC)(CBr)C)[H])C)C=1C(OC)=CC=CC1