| SpectraBase Spectrum ID |
KvZNgempwqH |
| Name |
3,5,5-Trimethylhexyl acetate |
| CAS Registry Number |
58430-94-7 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
186.295 g/mol |
| Nominal Mass |
186 u |
| Quality |
1000 |
| Retention Index |
1290 |
| SMILES |
C(CC(CCOC(=O)C)C)(C)(C)C |
| SPLASH |
splash10-0avl-9100000000-d3c7743234dd6a6ad27d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3,5,5-trimethylhexyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_034990 |
