| SpectraBase Spectrum ID |
4bP2xx17KZ2 |
| Name |
Bergaptene |
| CAS Registry Number |
484-20-8 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
216.042258734 u |
| Formula |
C12H8O4 |
| InChI |
InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3 |
| InChIKey |
BGEBZHIAGXMEMV-UHFFFAOYSA-N |
| Molecular Weight |
216.192 g/mol |
| Number of Peaks |
50 |
| RI1 |
2054 |
| SMILES |
COc1c2c(cc3c1cco3)OC(=O)C=C2 |
| SPLASH |
splash10-0gi0-7980000000-4627e96fee3a2b7a12a2 |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy- |
| Wiley ID |
LM_FFNSC3_2965 |
