Spektraris NMR
Isoprenylcoumarin
Common Name: Isoprenylcoumarin
Synonyms: Isoprenylcoumarin
CAS Registry Number:
InChI: InChI=1S/C14H14O3/c1-9(2)7-8-11-13(15)10-5-3-4-6-12(10)17-14(11)16/h3-7,15H,8H2,1-2H3
InChIKey: InChIKey=YRWFXMOTWDSLNX-UHFFFAOYSA-N
Formula: C14H14O3
Molecular Weight: 230.259688
Exact Mass: 230.094294
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Rivera, A., Rios-Motta, J. Nat. Prod. Commun. (2008) 3, 333-8
Species:
Notes: Family : Chromans, Type : Coumarins, Group : 3-Alkylcoumarins; 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 |
|---|---|
| 2 (C) | 160.9 |
| 3 (C) | 103 |
| 4 (C) | 163.5 |
| 5 (CH) | 122.7 |
| 6 (CH) | 123.8 |
| 7 (CH) | 131.6 |
| 8 (CH) | 117 |
| 9 (C) | 152.4 |
| 10 (C) | 116.4 |
| 1' (CH2) | 24 |
| 2' (CH) | 120 |
| 3' (C) | 139.2 |
| 4' (CH3) | 18.1 |
| 5' (CH3) | 25.8 |
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