| SpectraBase Spectrum ID |
KsfJTkFQ6bU |
| Name |
Polysantol |
| CAS Registry Number |
107898-54-4 |
| 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 |
222.198365456 u |
| Formula |
C15H26O |
| InChI |
InChI=1S/C15H26O/c1-11-7-8-13(15(11,5)6)9-10-14(3,4)12(2)16/h7,9-10,12-13,16H,8H2,1-6H3/b10-9+ |
| InChIKey |
QZFSNJAQFWEXEA-MDZDMXLPSA-N |
| Molecular Weight |
222.372 g/mol |
| Number of Peaks |
50 |
| RI1 |
1501 |
| RI2 |
1179 |
| RI3 |
1599 |
| RI4 |
1559 |
| RI5 |
1497 |
| SMILES |
OC(C(\C=C\C1CC=C(C1(C)C)C)(C)C)C |
| SPLASH |
splash10-0avi-9800000000-0c52b8ba08d644fac78e |
| 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 |
4-Penten-2-ol, 3,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl) |
| Wiley ID |
LM_FFNSC3_1323 |
