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1-Methylpentalongin

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-Methylpentalongin
SpectraBase Compound ID AVAvt4q2duC
InChI InChI=1S/C14H10O3/c1-8-12-11(6-7-17-8)13(15)9-4-2-3-5-10(9)14(12)16/h2-8H,1H3
InChIKey MIFANTFQBVROCK-UHFFFAOYSA-N
Mol Weight 226.23 g/mol
Molecular Formula C14H10O3
Exact Mass 226.062994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 15qd5GKXybc
Name 1-METHYLPENTALONGIN
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H10O3
InChI InChI=1S/C14H10O3/c1-8-12-11(6-7-17-8)13(15)9-4-2-3-5-10(9)14(12)16/h2-8H,1H3
InChIKey MIFANTFQBVROCK-UHFFFAOYSA-N
Literature Reference Author B.KESTELEYN,N.D.KIMPE,L.V.PUYVELDE
Literature Reference Citation J.ORG.CHEM.,64,1173(1999)
Literature Reference DOI 10.1021/jo9811975
Molecular Weight 226.232 g/mol
Sample ID 39393
Solvent CDCl3