| SpectraBase Spectrum ID |
3t2p0PEJ03i |
| Name |
Isobergaptene |
| CAS Registry Number |
482-48-4 |
| 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/c1-14-9-6-10-8(4-5-15-10)12-7(9)2-3-11(13)16-12/h2-6H,1H3 |
| InChIKey |
AJSPSRWWZBBIOR-UHFFFAOYSA-N |
| Molecular Weight |
216.192 g/mol |
| Number of Peaks |
50 |
| RI1 |
2032 |
| RI2 |
1707 |
| SMILES |
C1(C=Cc2c(O1)c1c(cc2OC)occ1)=O |
| SPLASH |
splash10-014i-6690000000-01e7a6fedc879e460613 |
| 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 |
2H-Furo[2,3-h]-1-benzopyran-2-one, 5-methoxy- |
| Wiley ID |
LM_FFNSC3_1750 |
