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CRESCENTIN-I

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CRESCENTIN-I
SpectraBase Compound ID BZR9r8PZR04
InChI InChI=1S/C9H14O4/c1-5-4-7(11)6(2-3-10)8(5)9(12)13/h6-7,10-11H,2-4H2,1H3,(H,12,13)/t6-,7+/m0/s1
InChIKey KGKIAOCPNHYBAM-NKWVEPMBSA-N
Mol Weight 186.21 g/mol
Molecular Formula C9H14O4
Exact Mass 186.089209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LJS848BQ0GK
Name CRESCENTIN-I
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H14O4
InChI InChI=1S/C9H14O4/c1-5-4-7(11)6(2-3-10)8(5)9(12)13/h6-7,10-11H,2-4H2,1H3,(H,12,13)/t6-,7+/m0/s1
InChIKey KGKIAOCPNHYBAM-NKWVEPMBSA-N
Literature Reference Author T.KANEKO,K.OHTANI,R.KASAI,K.YAMASAKI,N.M.DUC
Literature Reference Citation PHYTOCHEM.,46,907(1997)
Literature Reference DOI 10.1016/s0031-9422(97)00375-0
Molecular Weight 186.208 g/mol
Sample ID 45432
Solvent D2O