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(4S)-4-[(1R,3aR,7aR)-4-keto-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]pent-2-ynoic acid ethyl ester
SpectraBase Compound ID KOqimmhQHzi
InChI InChI=1S/C17H24O3/c1-4-20-16(19)10-7-12(2)13-8-9-14-15(18)6-5-11-17(13,14)3/h12-14H,4-6,8-9,11H2,1-3H3/t12-,13-,14+,17-/m1/s1
InChIKey WPHKMXVMPJRUAW-VWPFQQQWSA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9OHPpfIFrWY
Name (4S)-4-[(1R,3aR,7aR)-4-keto-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]pent-2-ynoic acid ethyl ester
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-4-20-16(19)10-7-12(2)13-8-9-14-15(18)6-5-11-17(13,14)3/h12-14H,4-6,8-9,11H2,1-3H3/t12-,13-,14+,17-/m1/s1
InChIKey WPHKMXVMPJRUAW-VWPFQQQWSA-N
Literature Reference Author E.MOMAN,D.NICOLETTI,A.MOURINO
Literature Reference Citation ORG.LETTERS,8,1249(2006)
Literature Reference DOI 10.1021/ol060231w
Molecular Weight 276.376 g/mol
Sample ID 40006
Solvent CDCl3