| SpectraBase Spectrum ID |
98VOev8rwgW |
| Name |
Incensole acetate |
| CAS Registry Number |
34701-53-6 |
| 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 |
348.266445016 u |
| Formula |
C22H36O3 |
| InChI |
InChI=1S/C22H36O3/c1-16(2)22-13-12-18(4)9-7-8-17(3)10-11-20(24-19(5)23)21(6,25-22)14-15-22/h8,12,16,20H,7,9-11,13-15H2,1-6H3/b17-8+,18-12+/t20-,21?,22-/m0/s1 |
| InChIKey |
HVBACKJYWZTKCA-VUPOHORTSA-N |
| Molecular Weight |
348.527 g/mol |
| Number of Peaks |
50 |
| RI1 |
2186 |
| SMILES |
C1\C(=C\C[C@]2(CCC([C@](CC\C(=C\C1)C)(OC(=O)C)[H])(C)O2)C(C)C)C |
| SPLASH |
splash10-0006-9400000000-68ff7085fd03540c0277 |
| 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 |
15-Oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol, 1,5,9-trimethyl-12-(1-methylethyl)-, 2-acetate |
| Wiley ID |
LM_FFNSC3_2828 |
