| SpectraBase Spectrum ID |
DlY6kPpBNcu |
| Name |
Methyl undecanoate |
| CAS Registry Number |
1731-86-8 |
| 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 |
200.177630011 u |
| Formula |
C12H24O2 |
| InChI |
InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-11H2,1-2H3 |
| InChIKey |
XPQPWPZFBULGKT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
200.322 g/mol |
| Nominal Mass |
200 u |
| Quality |
969 |
| Retention Index |
1390 |
| SMILES |
C(CCCCCCCCCC)(OC)=O |
| SPLASH |
splash10-00du-9100000000-bb14b8c247efb8eda963 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Undecanoic acid,methyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022575 |
