| SpectraBase Spectrum ID |
8HnC7M4eiHo |
| Name |
Pent-3-yl-p-toluate |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
206.130679818 u |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-4-12(5-2)15-13(14)11-8-6-10(3)7-9-11/h6-9,12H,4-5H2,1-3H3 |
| InChIKey |
SNKWRFSNFMMNOW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
206.285 g/mol |
| Nominal Mass |
206 u |
| Quality |
987 |
| Retention Index |
1492 |
| SMILES |
C=1(C(OC(CC)CC)=O)C=CC(=CC1)C |
| SPLASH |
splash10-014i-7900000000-1db136e3e212042e8a78 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Pent-3-yl-4-methyl benzoate
pentan-3-yl 4-methylbenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010321 |
