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4-Bromoetiochola-3,17-dione

View entire compound with spectra: 1 NMR, and 1 FTIR

4-Bromoetiochola-3,17-dione
SpectraBase Compound ID FOjIJ3L26zl
InChI InChI=1S/C19H27BrO2/c1-18-10-8-15(21)17(20)14(18)4-3-11-12-5-6-16(22)19(12,2)9-7-13(11)18/h11-14,17H,3-10H2,1-2H3/t11-,12-,13-,14?,17?,18+,19-/m0/s1
InChIKey LLUSGVKONLVXLC-NJCGZANFSA-N
Mol Weight 367.33 g/mol
Molecular Formula C19H27BrO2
Exact Mass 366.119443 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2prefroFOSy
Name 4-Bromoetiochola-3,17-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.119443107 u
Formula C19H27BrO2
InChI InChI=1S/C19H27BrO2/c1-18-10-8-15(21)17(20)14(18)4-3-11-12-5-6-16(22)19(12,2)9-7-13(11)18/h11-14,17H,3-10H2,1-2H3/t11-,12-,13-,14?,17?,18+,19-/m0/s1
InChIKey LLUSGVKONLVXLC-NJCGZANFSA-N
Molecular Weight 367.327 g/mol
SMILES C1(CC[C@]2(C(C1Br)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CCC2=O)[H])C)[H])[H])C)=O