| SpectraBase Spectrum ID |
2pX7vdGSTEe |
| Name |
3-Methylbutyl-3-methylbutanoic acid ester |
| CAS Registry Number |
659-70-1 |
| 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 |
172.146329882 u |
| Formula |
C10H20O2 |
| InChI |
InChI=1S/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3 |
| InChIKey |
XINCECQTMHSORG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
172.268 g/mol |
| Nominal Mass |
172 u |
| Quality |
993 |
| Retention Index |
1190 |
| SMILES |
C(C(OCCC(C)C)=O)C(C)C |
| SPLASH |
splash10-05fu-9000000000-2b0419a3afb13d0816d5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-methylbutyl 3-methylbutanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006901 |
