| SpectraBase Spectrum ID |
FcISbmmJ06W |
| Name |
TMDD |
| CAS Registry Number |
126-86-3 |
| Classification |
Tenside |
| 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 |
226.193280075 u |
| Formula |
C14H26O2 |
| InChI |
InChI=1S/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3 |
| InChIKey |
LXOFYPKXCSULTL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
226.360 g/mol |
| Nominal Mass |
226 u |
| Quality |
968 |
| Retention Index |
1547 |
| SMILES |
OC(C#CC(CC(C)C)(O)C)(CC(C)C)C |
| SPLASH |
splash10-0k96-9700000000-66663e720470169e819e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,4-Diisobutyl-1,4-dimethylbutynediol
Surfynol 104
2,4,7,9-Tetramethyl-5-decyne-4,7-diol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022576 |
