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Table 3 Results of 8 single-blind trials.

From: Blind trials of computer-assisted structure elucidation software

 

1D NMR Data

2D NMR Data (Total Correlations/Ambiguous Correlations)

Data not used

Example 1

1H, 13C

HSQC, HMBC (10/2)

COSY

Example 2

1H, 13C, DEPT135

HSQC, HMBC (20/5)

COSY

Example 3

1H, 13C, DEPT135

HETCOR, HMBC(86/5), COSY (31/4)

ROESY

Example 4

1H, 13C

HSQC, HMBC(74/17), COSY (14/1)

-

Example 5

1H, 13C

HSQC, HMBC (23/4), COSY (25/12)

-

Example 6

1H, 13C

HSQC-DEPT, HMBC(67/0), COSY (31/0)

NOESY

Example 7

1H

HSQC, HMBC(47/0)

COSY, TOCSY

Example 8

1H, 13C

HSQC, HMBC(20/14), COSY(2/2)

-

  1. Spectral data of compounds.