Spektraris NMR

Common Name: Benzoic acid, 4-[[(2S)-2-hydroxy-3-butynyl]oxy]-

Synonyms: Benzoic acid, 4-[[(2S)-2-hydroxy-3-butynyl]oxy]-

CAS Registry Number:

InChI: InChI=1S/C11H10O4/c1-2-9(12)7-15-10-5-3-8(4-6-10)11(13)14/h1,3-6,9,12H,7H2,(H,13,14)/t9-/m0/s1

InChIKey: InChIKey=BHYJLEDUCTYKHX-VIFPVBQESA-N

Formula: C11H10O4

Molecular Weight: 206.195122

Exact Mass: 206.057909

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Oh, H., Swenson, D.C., Gloer, J.B., Shearer, C.A. J Nat Prod (2003) 66, 73-9

Species:

Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylmethanoids; 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)