(Z)-7-Octadecen-9-ynoic acid

(Z)-7-Octadecen-9-ynoic acid

Common Name: (Z)-7-Octadecen-9-ynoic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h11-12H,2-8,13-17H2,1H3,(H,19,20)/b12-11-

InChIKey: InChIKey=BWSIKEZDJMZITO-QXMHVHEDSA-N

Formula: C18H30O2

Molecular Weight: 278.430279

Exact Mass: 278.22458

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Nkunya, M.H., Jonker, S.A., Makangara, J.J., Waibel, R., Achenbach, H. Phytochemistry (2000) 53, 1067-73

Species:

Notes: Family : Aliphatics, Type : Acids; 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)

Carbon NMR Peaks

Position PPM
1 (C) 179.4
2 (CH2) 34
3 (CH2) 24.5
4 (CH2) 29.7
5 (CH2) 29
6 (CH2) 28.5
7 (CH) 142
8 (CH) 109.7
9 (C) 77.2
10 (C) 94.7
11 (CH2) 19.5
12 (CH2) 29.7
13 (CH2) 29
14 (CH2) 28
15 (CH2) 28.5
16 (CH2) 31.8
17 (CH2) 22.6
18 (CH3) 14.1