| SpectraBase Spectrum ID |
DnRxVaXxINk |
| Name |
Methyl 4-butylbenzoate |
| CAS Registry Number |
20651-69-8 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
192.115029753 u |
| Formula |
C12H16O2 |
| InChI |
InChI=1S/C12H16O2/c1-3-4-5-10-6-8-11(9-7-10)12(13)14-2/h6-9H,3-5H2,1-2H3 |
| InChIKey |
XJRYQLPELPLPHZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
192.258 g/mol |
| Nominal Mass |
192 u |
| Quality |
995 |
| Retention Index |
1491 |
| SMILES |
C=1(C(OC)=O)C=CC(=CC1)CCCC |
| SPLASH |
splash10-0f6y-3900000000-ad69dff342789278504e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,4-butyl-,methyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022405 |
