| SpectraBase Spectrum ID |
DmVaaaWg9JI |
| Name |
Pentyl-p-toluate |
| CAS Registry Number |
6976-74-5 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
206.130679818 u |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-3-4-5-10-15-13(14)12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3 |
| InChIKey |
FXPYVDXLZGLQKU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
206.285 g/mol |
| Nominal Mass |
206 u |
| Quality |
939 |
| Retention Index |
1626 |
| SMILES |
C=1(C(OCCCCC)=O)C=CC(=CC1)C |
| SPLASH |
splash10-00kr-6900000000-2089964f05c6f650b0c9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
p-Toluic acid pentyl ester
p-Toluicacid,pentyl ester
Pentyl 4-methyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022429 |
