| SpectraBase Spectrum ID |
KP5kjnbSEd8 |
| Name |
Agarofuran |
| CAS Registry Number |
5956-12-7 |
| 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/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h6,12H,5,7-10H2,1-4H3/t12-,14+,15+/m1/s1 |
| InChIKey |
ZLQADKTVJQXDIG-SNPRPXQTSA-N |
| Molecular Weight |
220.356 g/mol |
| Number of Peaks |
50 |
| RI1 |
1551 |
| RI2 |
1228 |
| SMILES |
C1C[C@@]2([C@@]3(C(=C1)C)C[C@@](CC2)(C(O3)(C)C)[H])C |
| SPLASH |
splash10-05gl-8930000000-b9b8c8317e0dc64ec4f4 |
| 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 |
2H-3,9a-Methano-1-benzoxepin, 3,4,5,5a,6,7-hexahydro-2,2,5a,9-tetramethyl-, (3R,5aS,9aR)- |
| Wiley ID |
LM_FFNSC3_1873 |
