Spektraris NMR
Herbaric acid
Common Name: Herbaric acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C10H8O6/c11-4-1-5-7(3-8(13)14)16-10(15)9(5)6(12)2-4/h1-2,7,11-12H,3H2,(H,13,14)
InChIKey: InChIKey=YIQRZXRYUUYARN-UHFFFAOYSA-N
Formula: C10H8O6
Molecular Weight: 224.167315
Exact Mass: 224.032088
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Jadulco, R., Brauers, G., Edrada, R.A., Ebel, R., Wray, V., Sudarsono, S., Proksch, P. J Nat Prod (2002) 65, 730-3
Species:
Notes: Family : Aromatics, Type : Phthalides; 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) | 171.4 |
| 3 (CH) | 78.2 |
| 3a (C) | 154.8 |
| 4 (CH) | 101.7 |
| 5 (C) | 159.7 |
| 6 (CH) | 103.9 |
| 7 (C) | 167.1 |
| 7a (C) | 104.5 |
| 8 (CH2) | 40.4 |
| 9 (C) | 173 |
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