SpectraBase Spectrum ID |
Dla0NMQYHLM |
Name |
Hexyl 4-propyl benzoate |
Classification |
Chemical |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
248.177630011 u |
Formula |
C16H24O2 |
InChI |
InChI=1S/C16H24O2/c1-3-5-6-7-13-18-16(17)15-11-9-14(8-4-2)10-12-15/h9-12H,3-8,13H2,1-2H3 |
InChIKey |
RFYMBNITBKVEOO-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
248.366 g/mol |
Nominal Mass |
248 u |
Quality |
782 |
Retention Index |
1929 |
SMILES |
C=1(C(OCCCCCC)=O)C=CC(=CC1)CCC |
SPLASH |
splash10-02td-4900000000-2ce07a082e712269eec9 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Benzoic acid,4-propyl-,hexyl ester
Hexyl-4-propylbenzoate |
Technique |
GC/MS |
Wiley ID |
DD2024_022657 |