| SpectraBase Spectrum ID |
8lwZAOrlebL |
| Name |
Callicarpenal |
| CAS Registry Number |
161105-12-0 |
| 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 |
234.198365456 u |
| Formula |
C16H26O |
| InChI |
InChI=1S/C16H26O/c1-12-6-5-7-14-15(12,3)9-8-13(2)16(14,4)10-11-17/h6,11,13-14H,5,7-10H2,1-4H3/t13-,14+,15+,16+/m1/s1 |
| InChIKey |
MPWIIQYWQOBNKS-UGUYLWEFSA-N |
| Molecular Weight |
234.383 g/mol |
| Number of Peaks |
50 |
| RI1 |
1816 |
| RI2 |
1493 |
| SMILES |
C1C=C([C@]2([C@](C1)([C@]([C@@](CC2)(C)[H])(CC=O)C)[H])C)C |
| SPLASH |
splash10-054o-4900000000-adcf57006ccdea5c14bf |
| 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 |
1-Naphthaleneacetaldehyde, 1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-, (1S,2R,4aR,8aR)- |
| Wiley ID |
LM_FFNSC3_1645 |
