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(2S,8S,9S)-8-CHLORO-2-ETHYL-9-[(2Z)-PENT-2-EN-4-YNYL]-1-OXA-3Z,5Z-CYCLONONADIENE;(+)-SYNTHETIC-BRASILENYNE

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(2S,8S,9S)-8-CHLORO-2-ETHYL-9-[(2Z)-PENT-2-EN-4-YNYL]-1-OXA-3Z,5Z-CYCLONONADIENE;(+)-SYNTHETIC-BRASILENYNE
SpectraBase Compound ID 8QLbeGLue8z
InChI InChI=1S/C15H19ClO/c1-3-5-7-12-15-14(16)11-9-6-8-10-13(4-2)17-15/h1,5-10,13-15H,4,11-12H2,2H3/b7-5-,9-6-,10-8-/t13-,14-,15-/m0/s1
InChIKey SMJVVUACAPVPDN-PHXLTAQZSA-N
Mol Weight 250.77 g/mol
Molecular Formula C15H19ClO
Exact Mass 250.112443 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7gtC8WXHBqq
Name (2S,8S,9S)-8-CHLORO-2-ETHYL-9-[(2Z)-PENT-2-EN-4-YNYL]-1-OXA-3Z,5Z-CYCLONONADIENE;(+)-SYNTHETIC-BRASILENYNE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H19ClO
InChI InChI=1S/C15H19ClO/c1-3-5-7-12-15-14(16)11-9-6-8-10-13(4-2)17-15/h1,5-10,13-15H,4,11-12H2,2H3/b7-5-,9-6-,10-8-/t13-,14-,15-/m0/s1
InChIKey SMJVVUACAPVPDN-PHXLTAQZSA-N
Literature Reference Author S.E.DENMARK,S.M.YANG
Literature Reference Citation J.AM.CHEM.SOC.,124,15196(2002)
Literature Reference DOI 10.1021/ja028936q
Molecular Weight 250.768 g/mol
Sample ID 49022
Solvent CDCl3