| SpectraBase Spectrum ID |
g6AOESrE7s |
| Name |
Atractylone |
| CAS Registry Number |
6989-21-5 |
| 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 |
216.151415263 u |
| Formula |
C15H20O |
| InChI |
InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1 |
| InChIKey |
TYPSVDGIQAOBAD-DZGCQCFKSA-N |
| Molecular Weight |
216.324 g/mol |
| Number of Peaks |
50 |
| RI1 |
1660 |
| SMILES |
c12c(occ2C)C[C@@]2([C@@](C1)(C(=C)CCC2)[H])C |
| SPLASH |
splash10-0a4l-7920000000-d7411334983e464b9796 |
| 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 |
Naphtho[2,3-b]furan, 4,4a,5,6,7,8,8a,9-octahydro-3,8a-dimethyl-5-methylene- |
| Wiley ID |
LM_FFNSC3_2283 |
