| SpectraBase Spectrum ID |
GdRrTTw8Ryu |
| Name |
Jessemal |
| CAS Registry Number |
38285-49-3 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
214.156894565 u |
| Formula |
C12H22O3 |
| InChI |
InChI=1S/C12H22O3/c1-4-5-6-11-8-14-7-9(2)12(11)15-10(3)13/h9,11-12H,4-8H2,1-3H3 |
| InChIKey |
XWNKVSFNBVIKJB-UHFFFAOYSA-N |
| Molecular Weight |
214.305 g/mol |
| Number of Peaks |
50 |
| RI1 |
1414 |
| RI2 |
1093 |
| RI3 |
1211 |
| RI4 |
1169 |
| SMILES |
C1C(C(C(CO1)CCCC)OC(C)=O)C |
| SPLASH |
splash10-0006-9100000000-cc6f22cb06b82d0cb4b4 |
| 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-Pyran-4-ol, 3-butyltetrahydro-5-methyl-, acetate |
| Wiley ID |
LM_FFNSC3_1265 |
