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STACHYLINE_C

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STACHYLINE_C
SpectraBase Compound ID LLibUPPCHTp
InChI InChI=1S/C13H18O3/c1-10(2)13(15)9-16-12-5-3-11(4-6-12)7-8-14/h3-6,13-15H,1,7-9H2,2H3/t13-/m1/s1
InChIKey XOKNJGSBLIKARH-CYBMUJFWSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5HqDPva0x8h
Name STACHYLINE_C
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-10(2)13(15)9-16-12-5-3-11(4-6-12)7-8-14/h3-6,13-15H,1,7-9H2,2H3/t13-/m1/s1
InChIKey XOKNJGSBLIKARH-CYBMUJFWSA-N
Literature Reference Author C.ALMEIDA,N.PART,S.BOUHIRED,S.KEHRAUS,G.M.KOENIG
Literature Reference Citation J.NAT.PROD.,74,21(2011)
Literature Reference DOI 10.1021/np1005345
Molecular Weight 222.284 g/mol
Sample ID 37230
Solvent ACETONE-D6