SpectraBase Spectrum ID |
HTqdIIOCKGN |
Name |
Cubebol |
CAS Registry Number |
23445-02-5 |
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/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h9-13,16H,5-8H2,1-4H3/t10-,11+,12-,13+,14+,15-/m1/s1 |
InChIKey |
KONGRWVLXLWGDV-BYGOPZEFSA-N |
Molecular Weight |
222.372 g/mol |
Number of Peaks |
50 |
RI1 |
1519 |
RI2 |
1195 |
SMILES |
O[C@@]1([C@@]2([C@]3([C@@](CC[C@]([C@@]23CC1)(C)[H])(C(C)C)[H])[H])[H])C |
SPLASH |
splash10-06r6-8920000000-6898c6d3481b125c8bea |
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-Cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol, octahydro-3,7-dimethyl-4-(1-methylethyl)-, (3S,3aR,3bR,4S,7R,7aR)- |
Wiley ID |
LM_FFNSC3_1592 |