| SpectraBase Spectrum ID |
E3Z7auVTsox |
| Name |
2-Butyl benzoate |
| CAS Registry Number |
3306-36-3 |
| 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 |
178.099379689 u |
| Formula |
C11H14O2 |
| InChI |
InChI=1S/C11H14O2/c1-3-9(2)13-11(12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3 |
| InChIKey |
LSLWNAOQPPLHSW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
178.231 g/mol |
| Nominal Mass |
178 u |
| Quality |
993 |
| Retention Index |
1253 |
| SMILES |
C1(C(OC(CC)C)=O)=CC=CC=C1 |
| SPLASH |
splash10-0ab9-6900000000-8b23a982bdcb7d6ffda0 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-Methylpropyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015324 |
