| SpectraBase Spectrum ID |
LlsregFwkxf |
| Name |
Callitrisin |
| CAS Registry Number |
66964-62-3 |
| 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 |
232.146329882 u |
| Formula |
C15H20O2 |
| InChI |
InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h4,6,10-13H,1,5,7-8H2,2-3H3/t10-,11-,12-,13-,15+/m1/s1 |
| InChIKey |
VHANAQXZAJSCOS-HVNMYJMUSA-N |
| Molecular Weight |
232.323 g/mol |
| Number of Peaks |
50 |
| RI1 |
1943 |
| SMILES |
C1(O[C@@]2(C[C@@]3(C=CCC([C@]3(C[C@@]2([C@]1(C)[H])[H])[H])=C)C)[H])=O |
| SPLASH |
splash10-052f-4900000000-b0a06d5880eec19de55c |
| 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-2(3H)-one, 3a,4,4a,5,6,8a,9,9a-octahydro-3,8a-dimethyl-5-methylene- |
| Wiley ID |
LM_FFNSC3_2462 |
