SpectraBase Spectrum ID |
ABxACiLr3Rh |
Name |
Italicene ether |
CAS Registry Number |
104188-25-2 |
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 |
220.182715392 u |
Formula |
C15H24O |
InChI |
InChI=1S/C15H24O/c1-10-7-8-15-11(2)5-6-12(15)14(3,4)16-13(15)9-10/h9,11-13H,5-8H2,1-4H3/t11-,12+,13-,15+/m1/s1 |
InChIKey |
JGKMDLIITSKWAD-COMQUAJESA-N |
Molecular Weight |
220.356 g/mol |
Number of Peaks |
50 |
RI1 |
1537 |
RI2 |
1213 |
SMILES |
[C@@]123[C@@](CC[C@]3(C)[H])(C(O[C@@]1(C=C(CC2)C)[H])(C)C)[H] |
SPLASH |
splash10-052f-9820000000-689df2fdf78fb37cffea |
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,9H-Cyclopenta[c]benzofuran, 2,3,3a,4,5a,8-hexahydro-1,4,4,7-tetramethyl-, (1R,3aR,5aR,9aS)- |
Wiley ID |
LM_FFNSC3_1739 |