Table 3. Matching and Mismatching by Subtraction of the Reliably Different Chemical Shifts of Spectra of the Pentamethyldocosane Natural Product (NP) with the Synthetic Samples 2 (16S) and 4 (16R) (data in ppb)a.
| resonance | 2 – 4 | NP – 2 | NP – 4 |
|---|---|---|---|
| Me-10 | 6 | 0 | 6 |
| Me-16 | 7 | –1 | 7 |
| C14 | 6 | –1 | 5 |
| C10 | 5 | –1 | 4 |
| C13 | 10 | –2 | 8 |
| C11 | 6 | –1 | 5 |
| C9 | –9 | –1 | –10 |
a
Standardization corrections before rounding in ppb are 2.3 and 1.6 (see Supporting Information). Prior to subtraction, values of synthetic sample peaks were rounded to 1 ppb to match the natural product (NP) spectrum.