| SpectraBase Spectrum ID |
Ku9EGxWAjjB |
| Name |
Zizanone |
| CAS Registry Number |
28624-27-3 |
| 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 |
218.167065327 u |
| Formula |
C15H22O |
| InChI |
InChI=1S/C15H22O/c1-9-12-7-13(16)10(2)15(12)6-5-11(8-15)14(9,3)4/h10-12H,1,5-8H2,2-4H3/t10-,11-,12-,15+/m1/s1 |
| InChIKey |
RVQOGXCBZWSGSS-BLTAXRJOSA-N |
| Molecular Weight |
218.340 g/mol |
| Number of Peaks |
50 |
| RI1 |
1671 |
| SMILES |
C1([C@]2(C[C@]3([C@@](C(C[C@@]3(C1=C)[H])=O)(C)[H])CC2)[H])(C)C |
| SPLASH |
splash10-002f-9700000000-09db87511505329408e1 |
| 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 |
1H-3a,6-Methanoazulen-2(3H)-one, hexahydro-3,7,7-trimethyl-8-methylene- |
| Wiley ID |
LM_FFNSC3_2788 |
