| SpectraBase Spectrum ID |
GYjFJyZBcmm |
| Name |
2-Methylpentanoic anhydride |
| CAS Registry Number |
63169-61-9 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
214.156894565 u |
| Formula |
C12H22O3 |
| InChI |
InChI=1S/C12H22O3/c1-5-7-9(3)11(13)15-12(14)10(4)8-6-2/h9-10H,5-8H2,1-4H3 |
| InChIKey |
NCYCWNILADFMPI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
214.305 g/mol |
| Nominal Mass |
214 u |
| Quality |
998 |
| Retention Index |
1467 |
| SMILES |
C(C(CCC)C)(OC(C(CCC)C)=O)=O |
| SPLASH |
splash10-006t-9000000000-4412124cc176fce4b9f2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-methylpentanoyl 2-methylpentanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025447 |
