| SpectraBase Spectrum ID |
2jTwEZ4qR4g |
| Name |
Acetate <3,5,5-trimethylhexyl-> |
| CAS Registry Number |
58430-94-7 |
| 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 |
186.161979946 u |
| Formula |
C11H22O2 |
| InChI |
InChI=1S/C11H22O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h9H,6-8H2,1-5H3 |
| InChIKey |
DGKXDLCVQSQVBC-UHFFFAOYSA-N |
| Molecular Weight |
186.295 g/mol |
| Number of Peaks |
50 |
| RI1 |
1171 |
| RI2 |
849 |
| RI3 |
814 |
| RI4 |
767 |
| SMILES |
C(OC(C)=O)CC(CC(C)(C)C)C |
| SPLASH |
splash10-0avl-9100000000-562d5ec0971fe8897ebf |
| 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-Hexanol, 3,5,5-trimethyl-, acetate |
| Wiley ID |
LM_FFNSC3_1289 |
