| SpectraBase Spectrum ID |
2goOkJt19Jr |
| Name |
Isobromocuparene |
| CAS Registry Number |
57794-64-6 |
| 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 |
280.082663676 u |
| Formula |
C15H21Br |
| InChI |
InChI=1S/C15H21Br/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(15,2)3/h5-8,13H,9-10H2,1-4H3/t13-,15+/m1/s1 |
| InChIKey |
KORKIDZADLJCNH-HIFRSBDPSA-N |
| Molecular Weight |
281.237 g/mol |
| Number of Peaks |
50 |
| RI1 |
1849 |
| RI2 |
1519 |
| SMILES |
c1c(ccc(c1)[C@]1(C([C@@](CC1)(Br)[H])(C)C)C)C |
| SPLASH |
splash10-014i-9610000000-08b57d3d7a679015b381 |
| 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-[(1S,3R)-3-Bromo-1,2,2-trimethylcyclopentyl]-4-methylbenzene |
| Wiley ID |
LM_FFNSC3_1984 |
