| SpectraBase Spectrum ID |
2kmw4XqxRYG |
| Name |
Pent-2-yl-p-toluate |
| 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/c1-4-5-11(3)15-13(14)12-8-6-10(2)7-9-12/h6-9,11H,4-5H2,1-3H3 |
| InChIKey |
NXTQBCJIWBTWGQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
206.285 g/mol |
| Nominal Mass |
206 u |
| Quality |
988 |
| Retention Index |
1499 |
| SMILES |
C1(C(OC(CCC)C)=O)=CC=C(C=C1)C |
| SPLASH |
splash10-014l-9800000000-7ce560a4f3c38e5719b2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Pent-2-yl-4-methyl benzoate
pentan-2-yl 4-methylbenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010320 |
