| SpectraBase Spectrum ID |
Bufmre61xEa |
| Name |
Hex-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 |
220.146329882 u |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-4-5-6-12(3)16-14(15)13-9-7-11(2)8-10-13/h7-10,12H,4-6H2,1-3H3 |
| InChIKey |
NEQPOYDNBUNGBL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
220.312 g/mol |
| Nominal Mass |
220 u |
| Quality |
994 |
| Retention Index |
1590 |
| SMILES |
C1(C(OC(CCCC)C)=O)=CC=C(C=C1)C |
| SPLASH |
splash10-014l-9500000000-be6b1b68617755ee96ff |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Hex-2-yl-4-methyl benzoate
hexan-2-yl 4-methylbenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014689 |
