| SpectraBase Spectrum ID |
5ZRzdjeLOHA |
| Name |
Pentyl 3-methylbenzoate |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
206.130679818 u |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-3-4-5-9-15-13(14)12-8-6-7-11(2)10-12/h6-8,10H,3-5,9H2,1-2H3 |
| InChIKey |
KUPGUGAJEZQRKM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
206.285 g/mol |
| Nominal Mass |
206 u |
| Quality |
938 |
| Retention Index |
1606 |
| SMILES |
C=1(C(OCCCCC)=O)C=C(C=CC1)C |
| SPLASH |
splash10-00ku-7900000000-cab8a90f12d65ab8c883 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
m-Toluic acid pentyl ester
Pentyl-3-methyl benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022449 |
