Spektraris NMR

Common Name: 1S,2R-phenylpropanoid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C11H14O5/c1-6(12)10(13)7-3-8(14-2)11-9(4-7)15-5-16-11/h3-4,6,10,12-13H,5H2,1-2H3/t6-,10-/m0/s1

InChIKey: InChIKey=SISNFIMJZCCPLD-WKEGUHRASA-N

Formula: C11H14O5

Molecular Weight: 226.22629

Exact Mass: 226.084124

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Liu, H., Jensen, K.G., Tran, L.M., Chen, M., Zhai, L., Olsen, C.E., Sohoel, H., Denmeade, S.R., Isaacs, J.T., Christensen, S.B. Phytochemistry (2006) 67, 2651-8

Species:

Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylpropanoids; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)